N,6-dimethyl-1,4-thiazepane-4-carboxamide

C8H16N2OS — CID 130670870

IUPACN,6-dimethyl-1,4-thiazepane-4-carboxamide
SMILESCNC(=O)N1CCSCC(C)C1
InChIInChI=1S/C8H16N2OS/c1-7-5-10(8(11)9-2)3-4-12-6-7/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyCCNPPFGHEKQUJF-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.01
Rot. Bonds

About N,6-dimethyl-1,4-thiazepane-4-carboxamide

N,6-dimethyl-1,4-thiazepane-4-carboxamide (PubChem CID 130670870) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N,6-dimethyl-1,4-thiazepane-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-1,4-thiazepane-4-carboxamide
PubChem CID130670870
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN,6-dimethyl-1,4-thiazepane-4-carboxamide
SMILESCNC(=O)N1CCSCC(C)C1
InChIInChI=1S/C8H16N2OS/c1-7-5-10(8(11)9-2)3-4-12-6-7/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyCCNPPFGHEKQUJF-UHFFFAOYSA-N
XLogP1.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-(6-methyl-1,4-thiazepan-4-yl)propan-1-one
CID 130834705
3-chloro-1-(6-methyl-1,4-thiazepan-4-yl)propan-1-one
CID 131071380
3-amino-2-methyl-1-(6-methyl-1,4-thiazepan-4-yl)propan-1-one
CID 130933624
(6R)-6-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,4-thiazepane-4-carboxamide
CID 124623963
N-methyl-3-methylsulfonylthiomorpholine-4-carboxamide
CID 116656564
N,3-dimethyl-4-(methylamino)piperidine-1-carboxamide
CID 114498742
3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid
CID 130516067
N,3,3,5-tetramethylpiperidine-1-carboxamide
CID 127816904
2-cyclopropyl-2-(6-methyl-1,4-thiazepan-4-yl)acetic acid
CID 131114883
N-ethoxy-3-methylthiomorpholine-4-carboxamide
CID 130629111
3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide
CID 107295549
3-formyl-N-methylpyrrolidine-1-carboxamide
CID 90692240

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-1,4-thiazepane-4-carboxamide?
The IUPAC name of N,6-dimethyl-1,4-thiazepane-4-carboxamide (CID 130670870) is N,6-dimethyl-1,4-thiazepane-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-1,4-thiazepane-4-carboxamide?
The canonical SMILES for N,6-dimethyl-1,4-thiazepane-4-carboxamide is CNC(=O)N1CCSCC(C)C1.
What is the InChIKey of N,6-dimethyl-1,4-thiazepane-4-carboxamide?
The InChIKey is CCNPPFGHEKQUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-7-5-10(8(11)9-2)3-4-12-6-7/h7H,3-6H2,1-2H3,(H,9,11).
What are the key properties of N,6-dimethyl-1,4-thiazepane-4-carboxamide?
N,6-dimethyl-1,4-thiazepane-4-carboxamide has a molecular weight of 188.30 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-1,4-thiazepane-4-carboxamide is sourced from PubChem (CID 130670870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).