3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide

C15H29NOS — CID 107034259

IUPAC3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide
SMILESCC(C)C(S)C(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H29NOS/c1-10(2)12(18)13(17)16-11-7-14(3,4)9-15(5,6)8-11/h10-12,18H,7-9H2,1-6H3,(H,16,17)
InChIKeyLYCBBRWSGICDDY-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.66
Rot. Bonds3

About 3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide

3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide (PubChem CID 107034259) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is 3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide.

Molecular Properties

Compound Name3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide
PubChem CID107034259
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide
SMILESCC(C)C(S)C(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H29NOS/c1-10(2)12(18)13(17)16-11-7-14(3,4)9-15(5,6)8-11/h10-12,18H,7-9H2,1-6H3,(H,16,17)
InChIKeyLYCBBRWSGICDDY-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.66
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

(2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride
CID 120874151
2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid
CID 103499115
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide
CID 103968213
2-carbamothioyl-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide
CID 103966863
3-methyl-N-(3-methylcyclobutyl)-2-sulfanylbutanamide
CID 107035168
2-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 112639937
N-(2,2-dimethylcyclobutyl)-3-methyl-2-sulfanylbutanamide
CID 130556652
(2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 103951343
3-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 103966622
N-(3,3,5,5-tetramethylcyclohexyl)cyclopropanecarboxamide
CID 112568442
3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid
CID 103966570
3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide
CID 107034267

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide?
The IUPAC name of 3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide (CID 107034259) is 3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide.
What is the SMILES notation for 3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide?
The canonical SMILES for 3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide is CC(C)C(S)C(=O)NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide?
The InChIKey is LYCBBRWSGICDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-10(2)12(18)13(17)16-11-7-14(3,4)9-15(5,6)8-11/h10-12,18H,7-9H2,1-6H3,(H,16,17).
What are the key properties of 3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide?
3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide has a molecular weight of 271.47 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide is sourced from PubChem (CID 107034259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).