4-methyl-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide

C11H22N2OS — CID 115640943

IUPAC4-methyl-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
SMILESCSCCCNC(=O)N1CCC(C)CC1
InChIInChI=1S/C11H22N2OS/c1-10-4-7-13(8-5-10)11(14)12-6-3-9-15-2/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyAGOZNZULKVEWPN-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.18
Rot. Bonds4

About 4-methyl-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide

4-methyl-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide (PubChem CID 115640943) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 4-methyl-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
PubChem CID115640943
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name4-methyl-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
SMILESCSCCCNC(=O)N1CCC(C)CC1
InChIInChI=1S/C11H22N2OS/c1-10-4-7-13(8-5-10)11(14)12-6-3-9-15-2/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyAGOZNZULKVEWPN-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.18
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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Related Compounds

1-(3-methylsulfanylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 63959215
4-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
CID 111438886
1-(3-methylsulfanylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63958995
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide
CID 79160318
N-[2-(methanesulfinamido)ethyl]-4-methylpiperidine-1-carboxamide
CID 143816836
2-[1-(3-methylsulfanylpropylcarbamoyl)piperidin-3-yl]acetic acid
CID 63958153
2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 113440701
4-methyl-N-(3-methylbutyl)piperidine-1-carboxamide
CID 51712124
N-(3-hydroxybutyl)-4-methylpiperidine-1-carboxamide
CID 79160258

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide (CID 115640943) is 4-methyl-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide is CSCCCNC(=O)N1CCC(C)CC1.
What is the InChIKey of 4-methyl-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide?
The InChIKey is AGOZNZULKVEWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-10-4-7-13(8-5-10)11(14)12-6-3-9-15-2/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of 4-methyl-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide?
4-methyl-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 115640943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).