N-cyclopropyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

C8H14N2O3S — CID 115608976

IUPACN-cyclopropyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESO=C(NC1CC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H14N2O3S/c11-8(9-7-1-2-7)10-3-5-14(12,13)6-4-10/h7H,1-6H2,(H,9,11)
InChIKeyICMBZTSKQULDLW-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.41
Rot. Bonds1

About N-cyclopropyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-cyclopropyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 115608976) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-cyclopropyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID115608976
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC NameN-cyclopropyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESO=C(NC1CC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H14N2O3S/c11-8(9-7-1-2-7)10-3-5-14(12,13)6-4-10/h7H,1-6H2,(H,9,11)
InChIKeyICMBZTSKQULDLW-UHFFFAOYSA-N
XLogP-0.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63044455
N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide
CID 47127958
N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 127336878
N-[(3S)-1,1-dioxothiolan-3-yl]azepane-1-carboxamide
CID 2424807
N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide
CID 115629618
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-cyclopropyl-4-(dimethylamino)piperidine-1-carboxamide
CID 115580147
N-[4-(methylamino)cyclohexyl]piperidine-1-carboxamide
CID 79156160
N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
CID 79152452
N-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 18723341
N-cycloheptyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113109610
N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide
CID 86786884

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-cyclopropyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 115608976) is N-cyclopropyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is O=C(NC1CC1)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-cyclopropyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is ICMBZTSKQULDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c11-8(9-7-1-2-7)10-3-5-14(12,13)6-4-10/h7H,1-6H2,(H,9,11).
What are the key properties of N-cyclopropyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-cyclopropyl-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 218.28 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 115608976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).