(1R,2S,5R)-5-methyl-N-(3-methylsulfanylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide

C15H29NOS — CID 24955510

IUPAC(1R,2S,5R)-5-methyl-N-(3-methylsulfanylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCSCCCNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C15H29NOS/c1-11(2)13-7-6-12(3)10-14(13)15(17)16-8-5-9-18-4/h11-14H,5-10H2,1-4H3,(H,16,17)/t12-,13+,14-/m1/s1
InChIKeyODBLKDJCZFZNAZ-HZSPNIEDSA-N
MW271.47 g/mol
LogP3.56
Rot. Bonds6

About (1R,2S,5R)-5-methyl-N-(3-methylsulfanylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide

(1R,2S,5R)-5-methyl-N-(3-methylsulfanylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 24955510) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-N-(3-methylsulfanylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-N-(3-methylsulfanylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID24955510
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name(1R,2S,5R)-5-methyl-N-(3-methylsulfanylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCSCCCNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C15H29NOS/c1-11(2)13-7-6-12(3)10-14(13)15(17)16-8-5-9-18-4/h11-14H,5-10H2,1-4H3,(H,16,17)/t12-,13+,14-/m1/s1
InChIKeyODBLKDJCZFZNAZ-HZSPNIEDSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-methyl-N-(3-methylsulfanylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of (1R,2S,5R)-5-methyl-N-(3-methylsulfanylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide (CID 24955510) is (1R,2S,5R)-5-methyl-N-(3-methylsulfanylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for (1R,2S,5R)-5-methyl-N-(3-methylsulfanylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for (1R,2S,5R)-5-methyl-N-(3-methylsulfanylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide is CSCCCNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of (1R,2S,5R)-5-methyl-N-(3-methylsulfanylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is ODBLKDJCZFZNAZ-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H29NOS/c1-11(2)13-7-6-12(3)10-14(13)15(17)16-8-5-9-18-4/h11-14H,5-10H2,1-4H3,(H,16,17)/t12-,13+,14-/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-N-(3-methylsulfanylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide?
(1R,2S,5R)-5-methyl-N-(3-methylsulfanylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 271.47 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-5-methyl-N-(3-methylsulfanylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 24955510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).