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

C12H24N2O2S — CID 111438886

IUPAC4-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
SMILESCSCCCNC(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C12H24N2O2S/c1-10(15)11-4-7-14(8-5-11)12(16)13-6-3-9-17-2/h10-11,15H,3-9H2,1-2H3,(H,13,16)
InChIKeyVUOJAADUSSXHGU-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.54
Rot. Bonds5

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

4-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide (PubChem CID 111438886) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
PubChem CID111438886
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name4-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
SMILESCSCCCNC(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C12H24N2O2S/c1-10(15)11-4-7-14(8-5-11)12(16)13-6-3-9-17-2/h10-11,15H,3-9H2,1-2H3,(H,13,16)
InChIKeyVUOJAADUSSXHGU-UHFFFAOYSA-N
XLogP1.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
CID 115640943
1-(3-methylsulfanylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 63959215
4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 111437840
7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid
CID 106836825
1-(3-methylsulfanylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63958995
(3S)-3-[(1S)-1-hydroxyethyl]-N-(5-methylhexyl)pyrrolidine-1-carboxamide
CID 97351621
5-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 104686906
N-(2-tert-butylsulfinylethyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111459110
4-(1-hydroxyethyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-1-carboxamide
CID 111437983
2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841501
2-[1-(3-methylsulfanylpropylcarbamoyl)piperidin-3-yl]acetic acid
CID 63958153
methyl (3S)-1-(3-methylsulfanylpropylcarbamoyl)piperidine-3-carboxylate
CID 124595443

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide (CID 111438886) is 4-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide is CSCCCNC(=O)N1CCC(C(C)O)CC1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide?
The InChIKey is VUOJAADUSSXHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10(15)11-4-7-14(8-5-11)12(16)13-6-3-9-17-2/h10-11,15H,3-9H2,1-2H3,(H,13,16).
What are the key properties of 4-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide?
4-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide has a molecular weight of 260.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 111438886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).