N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpiperidine-3-carboxamide

C12H24N2O2S — CID 103950559

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCCSCCCO)CCCNC1
InChIInChI=1S/C12H24N2O2S/c1-12(4-2-5-13-10-12)11(16)14-6-9-17-8-3-7-15/h13,15H,2-10H2,1H3,(H,14,16)
InChIKeyNVZNDLXKAQNGNA-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.61
Rot. Bonds7

About N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpiperidine-3-carboxamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpiperidine-3-carboxamide (PubChem CID 103950559) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpiperidine-3-carboxamide
PubChem CID103950559
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCCSCCCO)CCCNC1
InChIInChI=1S/C12H24N2O2S/c1-12(4-2-5-13-10-12)11(16)14-6-9-17-8-3-7-15/h13,15H,2-10H2,1H3,(H,14,16)
InChIKeyNVZNDLXKAQNGNA-UHFFFAOYSA-N
XLogP0.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-3-methylpiperidine-3-carboxamide
CID 63130071
N-(3-methoxypropyl)-3-methylpiperidine-3-carboxamide
CID 63130047
2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 66177466
N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide
CID 63133316
3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 63130405
7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid
CID 63131790
3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131076
3-methyl-N-pent-3-ynylpiperidine-3-carboxamide
CID 116644144
3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55164315
2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 114006844
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpiperidine-3-carboxamide
CID 106175724

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpiperidine-3-carboxamide (CID 103950559) is N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpiperidine-3-carboxamide is CC1(C(=O)NCCSCCCO)CCCNC1.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is NVZNDLXKAQNGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-12(4-2-5-13-10-12)11(16)14-6-9-17-8-3-7-15/h13,15H,2-10H2,1H3,(H,14,16).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpiperidine-3-carboxamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 260.40 g/mol, XLogP of 0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103950559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).