N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide

C10H20N2OS — CID 107027013

IUPACN-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide
SMILESCC(S)C(=O)NCC1CCCCN1C
InChIInChI=1S/C10H20N2OS/c1-8(14)10(13)11-7-9-5-3-4-6-12(9)2/h8-9,14H,3-7H2,1-2H3,(H,11,13)
InChIKeyCNMCTIWBRKAIEM-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.91
Rot. Bonds3

About N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide

N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide (PubChem CID 107027013) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide
PubChem CID107027013
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide
SMILESCC(S)C(=O)NCC1CCCCN1C
InChIInChI=1S/C10H20N2OS/c1-8(14)10(13)11-7-9-5-3-4-6-12(9)2/h8-9,14H,3-7H2,1-2H3,(H,11,13)
InChIKeyCNMCTIWBRKAIEM-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
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

3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-sulfanylbutanamide
CID 106024016
(2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 79023299
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 106592824
2-(N'-hydroxycarbamimidoyl)-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 76923658
2-carbamothioyl-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 114138111
tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 62196160
2-methyl-2-(methylamino)-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 62847121
2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
CID 106024201
N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 82684324
N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106022346
4-methyl-5-[(1-methylpiperidin-2-yl)methylcarbamoylamino]pentanoic acid
CID 82014411

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide?
The IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide (CID 107027013) is N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide.
What is the SMILES notation for N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide?
The canonical SMILES for N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide is CC(S)C(=O)NCC1CCCCN1C.
What is the InChIKey of N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide?
The InChIKey is CNMCTIWBRKAIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(14)10(13)11-7-9-5-3-4-6-12(9)2/h8-9,14H,3-7H2,1-2H3,(H,11,13).
What are the key properties of N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide?
N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide has a molecular weight of 216.35 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide is sourced from PubChem (CID 107027013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).