1,6,6-trimethyl-N-sulfanylcycloundecane-1-carboxamide

C15H29NOS — CID 134355563

IUPAC1,6,6-trimethyl-N-sulfanylcycloundecane-1-carboxamide
SMILESCC1(C)CCCCCC(C)(C(=O)NS)CCCC1
InChIInChI=1S/C15H29NOS/c1-14(2)9-5-4-6-11-15(3,13(17)16-18)12-8-7-10-14/h18H,4-12H2,1-3H3,(H,16,17)
InChIKeyJDGPELOOQSLZKI-UHFFFAOYSA-N
MW271.47 g/mol
LogP4.50
Rot. Bonds1

About 1,6,6-trimethyl-N-sulfanylcycloundecane-1-carboxamide

1,6,6-trimethyl-N-sulfanylcycloundecane-1-carboxamide (PubChem CID 134355563) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is 1,6,6-trimethyl-N-sulfanylcycloundecane-1-carboxamide.

Molecular Properties

Compound Name1,6,6-trimethyl-N-sulfanylcycloundecane-1-carboxamide
PubChem CID134355563
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name1,6,6-trimethyl-N-sulfanylcycloundecane-1-carboxamide
SMILESCC1(C)CCCCCC(C)(C(=O)NS)CCCC1
InChIInChI=1S/C15H29NOS/c1-14(2)9-5-4-6-11-15(3,13(17)16-18)12-8-7-10-14/h18H,4-12H2,1-3H3,(H,16,17)
InChIKeyJDGPELOOQSLZKI-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,6,6-trimethylcycloundecane-1-carboxylic acid
CID 70908763
N-(4-chlorocyclohexyl)-1-methylcyclohexane-1-carboxamide
CID 106828990
1,1-dimethylcyclononane
CID 59289773
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1-methyl-N-[(1S)-2-oxocyclobutyl]cyclohexane-1-carboxamide
CID 149031374
N-butyl-1-methylcyclohexane-1-carboxamide
CID 168924588
N-cyclohexyl-1-methylcyclopropane-1-carboxamide
CID 130162659
N-[2-(cycloheptylamino)ethyl]-1-methylcyclohexane-1-carboxamide
CID 106828092
N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide
CID 106825990
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylcyclopentane-1-carboxamide
CID 104927764
ethane;1-methoxy-N-sulfanylcyclohexane-1-carboxamide
CID 171543267
1,1-dimethylcyclohexane;methane
CID 160770296

Frequently Asked Questions

What is the IUPAC name of 1,6,6-trimethyl-N-sulfanylcycloundecane-1-carboxamide?
The IUPAC name of 1,6,6-trimethyl-N-sulfanylcycloundecane-1-carboxamide (CID 134355563) is 1,6,6-trimethyl-N-sulfanylcycloundecane-1-carboxamide.
What is the SMILES notation for 1,6,6-trimethyl-N-sulfanylcycloundecane-1-carboxamide?
The canonical SMILES for 1,6,6-trimethyl-N-sulfanylcycloundecane-1-carboxamide is CC1(C)CCCCCC(C)(C(=O)NS)CCCC1.
What is the InChIKey of 1,6,6-trimethyl-N-sulfanylcycloundecane-1-carboxamide?
The InChIKey is JDGPELOOQSLZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-14(2)9-5-4-6-11-15(3,13(17)16-18)12-8-7-10-14/h18H,4-12H2,1-3H3,(H,16,17).
What are the key properties of 1,6,6-trimethyl-N-sulfanylcycloundecane-1-carboxamide?
1,6,6-trimethyl-N-sulfanylcycloundecane-1-carboxamide has a molecular weight of 271.47 g/mol, XLogP of 4.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-trimethyl-N-sulfanylcycloundecane-1-carboxamide is sourced from PubChem (CID 134355563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).