N-cyclopropyl-6-methoxy-2-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

C14H19NO3S — CID 43539375

IUPACN-cyclopropyl-6-methoxy-2-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCOc1ccc2c(c1)C(NC1CC1)CC(C)S2(=O)=O
InChIInChI=1S/C14H19NO3S/c1-9-7-13(15-10-3-4-10)12-8-11(18-2)5-6-14(12)19(9,16)17/h5-6,8-10,13,15H,3-4,7H2,1-2H3
InChIKeyDTWALBOLBBRZGI-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.05
Rot. Bonds3

About N-cyclopropyl-6-methoxy-2-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

N-cyclopropyl-6-methoxy-2-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43539375) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-cyclopropyl-6-methoxy-2-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methoxy-2-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43539375
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-cyclopropyl-6-methoxy-2-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCOc1ccc2c(c1)C(NC1CC1)CC(C)S2(=O)=O
InChIInChI=1S/C14H19NO3S/c1-9-7-13(15-10-3-4-10)12-8-11(18-2)5-6-14(12)19(9,16)17/h5-6,8-10,13,15H,3-4,7H2,1-2H3
InChIKeyDTWALBOLBBRZGI-UHFFFAOYSA-N
XLogP2.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-cyclopropyl-2-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43539638
N-cyclopropyl-6-methoxy-2,3-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 79413855
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
6-chloro-N,2-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43538964
7-methoxy-N-methyl-1,1-dioxo-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 43539367
N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxothiolan-3-amine
CID 79366111
6-methoxy-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539369
N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239587
6-methoxy-N-(3-methoxycyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 103082978
N-cyclohexyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239408
6-methoxy-N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-amine
CID 104584581
2-(5-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol
CID 117202370

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methoxy-2-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-cyclopropyl-6-methoxy-2-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (CID 43539375) is N-cyclopropyl-6-methoxy-2-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-cyclopropyl-6-methoxy-2-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-cyclopropyl-6-methoxy-2-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is COc1ccc2c(c1)C(NC1CC1)CC(C)S2(=O)=O.
What is the InChIKey of N-cyclopropyl-6-methoxy-2-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is DTWALBOLBBRZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-9-7-13(15-10-3-4-10)12-8-11(18-2)5-6-14(12)19(9,16)17/h5-6,8-10,13,15H,3-4,7H2,1-2H3.
What are the key properties of N-cyclopropyl-6-methoxy-2-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
N-cyclopropyl-6-methoxy-2-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 281.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methoxy-2-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43539375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).