N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide

C11H22N2OS — CID 107027490

IUPACN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide
SMILESCC(C)N1CCC(CNC(=O)CCS)C1
InChIInChI=1S/C11H22N2OS/c1-9(2)13-5-3-10(8-13)7-12-11(14)4-6-15/h9-10,15H,3-8H2,1-2H3,(H,12,14)
InChIKeySDSABPVZDXPVBS-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.15
Rot. Bonds5

About N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide (PubChem CID 107027490) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide
PubChem CID107027490
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide
SMILESCC(C)N1CCC(CNC(=O)CCS)C1
InChIInChI=1S/C11H22N2OS/c1-9(2)13-5-3-10(8-13)7-12-11(14)4-6-15/h9-10,15H,3-8H2,1-2H3,(H,12,14)
InChIKeySDSABPVZDXPVBS-UHFFFAOYSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.15
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-methylsulfonyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 131890705
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 119866720
2-[(2-methylpropan-2-yl)oxy]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 112605266
2-(cyclopentylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 61209304
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866719
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958144
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
CID 115596093
3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 51096129
4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 95589080
2-piperidin-4-yloxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 63875880
4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 62806250
(2S)-2-hydroxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]propanoic acid
CID 107839496

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide?
The IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide (CID 107027490) is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide is CC(C)N1CCC(CNC(=O)CCS)C1.
What is the InChIKey of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide?
The InChIKey is SDSABPVZDXPVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-9(2)13-5-3-10(8-13)7-12-11(14)4-6-15/h9-10,15H,3-8H2,1-2H3,(H,12,14).
What are the key properties of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide?
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide has a molecular weight of 230.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide is sourced from PubChem (CID 107027490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).