N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide

C12H24N2OS — CID 95201029

IUPACN-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)NC[C@@H]1CCCN(C)C1
InChIInChI=1S/C12H24N2OS/c1-3-7-16-10-12(15)13-8-11-5-4-6-14(2)9-11/h11H,3-10H2,1-2H3,(H,13,15)/t11-/m0/s1
InChIKeyKVTQSCFTOQPAHP-NSHDSACASA-N
MW244.40 g/mol
LogP1.59
Rot. Bonds6

About N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide

N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide (PubChem CID 95201029) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide.

Molecular Properties

Compound NameN-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide
PubChem CID95201029
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)NC[C@@H]1CCCN(C)C1
InChIInChI=1S/C12H24N2OS/c1-3-7-16-10-12(15)13-8-11-5-4-6-14(2)9-11/h11H,3-10H2,1-2H3,(H,13,15)/t11-/m0/s1
InChIKeyKVTQSCFTOQPAHP-NSHDSACASA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide
CID 65419155
2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 94819206
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide
CID 62659462
1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 55035175
4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 115157360
2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95208865
2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 103515649
2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511742
2-[1-(methylamino)cyclohexyl]-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 65242512
(2R)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-4-methylsulfanylbutanamide
CID 104908284
N,N'-bis[(1-methylpyrrolidin-3-yl)methyl]-3-oxopentanediamide
CID 20664945
1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162898

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide?
The IUPAC name of N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide (CID 95201029) is N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide.
What is the SMILES notation for N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide?
The canonical SMILES for N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide is CCCSCC(=O)NC[C@@H]1CCCN(C)C1.
What is the InChIKey of N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide?
The InChIKey is KVTQSCFTOQPAHP-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2OS/c1-3-7-16-10-12(15)13-8-11-5-4-6-14(2)9-11/h11H,3-10H2,1-2H3,(H,13,15)/t11-/m0/s1.
What are the key properties of N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide?
N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide has a molecular weight of 244.40 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide is sourced from PubChem (CID 95201029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).