3-methyl-N-piperidin-1-yl-2-sulfanylbutanamide

C10H20N2OS — CID 107033871

IUPAC3-methyl-N-piperidin-1-yl-2-sulfanylbutanamide
SMILESCC(C)C(S)C(=O)NN1CCCCC1
InChIInChI=1S/C10H20N2OS/c1-8(2)9(14)10(13)11-12-6-4-3-5-7-12/h8-9,14H,3-7H2,1-2H3,(H,11,13)
InChIKeyJJLJSTVJOYJOEI-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.46
Rot. Bonds3

About 3-methyl-N-piperidin-1-yl-2-sulfanylbutanamide

3-methyl-N-piperidin-1-yl-2-sulfanylbutanamide (PubChem CID 107033871) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-methyl-N-piperidin-1-yl-2-sulfanylbutanamide.

Molecular Properties

Compound Name3-methyl-N-piperidin-1-yl-2-sulfanylbutanamide
PubChem CID107033871
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name3-methyl-N-piperidin-1-yl-2-sulfanylbutanamide
SMILESCC(C)C(S)C(=O)NN1CCCCC1
InChIInChI=1S/C10H20N2OS/c1-8(2)9(14)10(13)11-12-6-4-3-5-7-12/h8-9,14H,3-7H2,1-2H3,(H,11,13)
InChIKeyJJLJSTVJOYJOEI-UHFFFAOYSA-N
XLogP1.46
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-methyl-N-piperidin-1-ylbutanamide
CID 83012008
3-amino-2-methyl-N-piperidin-1-ylpropanamide
CID 83014321
2,2-dichloro-N-piperidin-1-ylacetamide
CID 17164475
2-(hydroxymethyl)-3,3-dimethyl-N-piperidin-1-ylbutanamide
CID 58171914
(2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide
CID 155192910
5-amino-2-methyl-N-piperidin-1-ylpentanamide
CID 104685518
[(2S,3S)-1-(azepan-1-ylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid
CID 154168342
N-pyrrolidin-1-ylacetamide
CID 22023174
2-bromo-3-methyl-N-(4-methylpiperazin-1-yl)butanamide
CID 83011685
1,3-dipyrrolidin-1-ylurea
CID 140976479
2-chloro-N-piperidin-1-ylacetamide
CID 17164466
2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide
CID 154646156

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-piperidin-1-yl-2-sulfanylbutanamide?
The IUPAC name of 3-methyl-N-piperidin-1-yl-2-sulfanylbutanamide (CID 107033871) is 3-methyl-N-piperidin-1-yl-2-sulfanylbutanamide.
What is the SMILES notation for 3-methyl-N-piperidin-1-yl-2-sulfanylbutanamide?
The canonical SMILES for 3-methyl-N-piperidin-1-yl-2-sulfanylbutanamide is CC(C)C(S)C(=O)NN1CCCCC1.
What is the InChIKey of 3-methyl-N-piperidin-1-yl-2-sulfanylbutanamide?
The InChIKey is JJLJSTVJOYJOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(2)9(14)10(13)11-12-6-4-3-5-7-12/h8-9,14H,3-7H2,1-2H3,(H,11,13).
What are the key properties of 3-methyl-N-piperidin-1-yl-2-sulfanylbutanamide?
3-methyl-N-piperidin-1-yl-2-sulfanylbutanamide has a molecular weight of 216.35 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-piperidin-1-yl-2-sulfanylbutanamide is sourced from PubChem (CID 107033871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).