N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide

C12H24N2OS — CID 116657585

IUPACN-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide
SMILESCSCC(C)N(C)C(=O)N1CCCCCC1
InChIInChI=1S/C12H24N2OS/c1-11(10-16-3)13(2)12(15)14-8-6-4-5-7-9-14/h11H,4-10H2,1-3H3
InChIKeySSXXRLSYRSKHDW-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.67
Rot. Bonds3

About N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide

N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide (PubChem CID 116657585) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide
PubChem CID116657585
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide
SMILESCSCC(C)N(C)C(=O)N1CCCCCC1
InChIInChI=1S/C12H24N2OS/c1-11(10-16-3)13(2)12(15)14-8-6-4-5-7-9-14/h11H,4-10H2,1-3H3
InChIKeySSXXRLSYRSKHDW-UHFFFAOYSA-N
XLogP2.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide
CID 115897719
N-methyl-N-(1-methylsulfanylpropan-2-yl)morpholine-4-carboxamide
CID 115640207
N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide
CID 79152627
N-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115578834
2-methyl-2-[1-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 115986673
(3S)-1-[butan-2-yl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126152
1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidine-3-carboxylic acid
CID 112662788
N-methyl-N-(1-methylsulfanylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 112666864
N-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 68606002
N,N-bis(2-methylpropyl)piperidine-1-carboxamide
CID 115589131
N-methyl-N-(2-methylbutan-2-yl)azepane-1-carboxamide
CID 116656144
4-methyl-1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 115986555

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide?
The IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide (CID 116657585) is N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide is CSCC(C)N(C)C(=O)N1CCCCCC1.
What is the InChIKey of N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide?
The InChIKey is SSXXRLSYRSKHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-11(10-16-3)13(2)12(15)14-8-6-4-5-7-9-14/h11H,4-10H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide?
N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide has a molecular weight of 244.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide is sourced from PubChem (CID 116657585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).