2-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]-N,N-di(propan-2-yl)acetamide

C14H28N2O2S — CID 100645099

IUPAC2-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CC[S@@](=O)C[C@@H](C)C1)C(C)C
InChIInChI=1S/C14H28N2O2S/c1-11(2)16(12(3)4)14(17)9-15-6-7-19(18)10-13(5)8-15/h11-13H,6-10H2,1-5H3/t13-,19+/m0/s1
InChIKeyZUVDQIQPDOSGKP-ORAYPTAESA-N
MW288.46 g/mol
LogP1.33
Rot. Bonds4

About 2-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]-N,N-di(propan-2-yl)acetamide

2-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 100645099) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID100645099
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name2-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CC[S@@](=O)C[C@@H](C)C1)C(C)C
InChIInChI=1S/C14H28N2O2S/c1-11(2)16(12(3)4)14(17)9-15-6-7-19(18)10-13(5)8-15/h11-13H,6-10H2,1-5H3/t13-,19+/m0/s1
InChIKeyZUVDQIQPDOSGKP-ORAYPTAESA-N
XLogP1.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]-N,N-di(propan-2-yl)acetamide with MolForge

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 81491532
2-(4-aminopiperidin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 43556875
2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684054
3,3-difluoro-2,2-dimethyl-1-[(1R,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]propan-1-one
CID 124883938
1-[2-[di(propan-2-yl)amino]-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63148071
3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-2-one
CID 79395365
2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119906169
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 113319941
N-methyl-N-(4-methylpentan-2-yl)-2-(3-methylpyrrolidin-1-yl)acetamide
CID 86879276
2-(3-azidoazetidin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 121200207
2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 82705954
3-methyl-4-(3-methylbutyl)-1,4-thiazinane 1-oxide
CID 130651968

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]-N,N-di(propan-2-yl)acetamide (CID 100645099) is 2-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CN1CC[S@@](=O)C[C@@H](C)C1)C(C)C.
What is the InChIKey of 2-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is ZUVDQIQPDOSGKP-ORAYPTAESA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-11(2)16(12(3)4)14(17)9-15-6-7-19(18)10-13(5)8-15/h11-13H,6-10H2,1-5H3/t13-,19+/m0/s1.
What are the key properties of 2-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]-N,N-di(propan-2-yl)acetamide?
2-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 288.46 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 100645099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).