N-cyclopropyl-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine

C16H20N4O2S2 — CID 135689471

IUPACN-cyclopropyl-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESCC1Cc2cc(C3=NN/C(=N/C4CC4)SC3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C16H20N4O2S2/c1-10-7-12-8-11(3-6-15(12)20(10)24(2,21)22)14-9-23-16(19-18-14)17-13-4-5-13/h3,6,8,10,13H,4-5,7,9H2,1-2H3,(H,17,19)
InChIKeyATPNLQISVUCRJX-UHFFFAOYSA-N
MW364.50 g/mol
LogP1.96
Rot. Bonds3

About N-cyclopropyl-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine

N-cyclopropyl-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine (PubChem CID 135689471) has the molecular formula C16H20N4O2S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is N-cyclopropyl-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound NameN-cyclopropyl-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
PubChem CID135689471
Molecular FormulaC16H20N4O2S2
Molecular Weight364.50 g/mol
Exact Mass364.10
IUPAC NameN-cyclopropyl-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESCC1Cc2cc(C3=NN/C(=N/C4CC4)SC3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C16H20N4O2S2/c1-10-7-12-8-11(3-6-15(12)20(10)24(2,21)22)14-9-23-16(19-18-14)17-13-4-5-13/h3,6,8,10,13H,4-5,7,9H2,1-2H3,(H,17,19)
InChIKeyATPNLQISVUCRJX-UHFFFAOYSA-N
XLogP1.96
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-5-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135932715
N-(3-bromophenyl)-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135893457
N-(4-chlorophenyl)-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride
CID 135879240
N-(2,3-dimethylphenyl)-5-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135921100
N-(3-chlorophenyl)-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135893458
N-(2-ethyl-6-methylphenyl)-5-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135881894
5-(1,3-benzodioxol-5-yl)-N-cyclopropyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride
CID 135570272
N-methyl-4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine
CID 7436682
5-(4-chlorophenyl)-N-cyclopentyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135529253
4-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenol
CID 135913068
N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 92969218
5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole
CID 84761078

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The IUPAC name of N-cyclopropyl-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine (CID 135689471) is N-cyclopropyl-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for N-cyclopropyl-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The canonical SMILES for N-cyclopropyl-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine is CC1Cc2cc(C3=NN/C(=N/C4CC4)SC3)ccc2N1S(C)(=O)=O.
What is the InChIKey of N-cyclopropyl-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The InChIKey is ATPNLQISVUCRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S2/c1-10-7-12-8-11(3-6-15(12)20(10)24(2,21)22)14-9-23-16(19-18-14)17-13-4-5-13/h3,6,8,10,13H,4-5,7,9H2,1-2H3,(H,17,19).
What are the key properties of N-cyclopropyl-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
N-cyclopropyl-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine has a molecular weight of 364.50 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 135689471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).