4-(cyclopropylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butane-1-sulfonamide

C15H31N3O2S — CID 106018008

IUPAC4-(cyclopropylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butane-1-sulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)CCCCNC2CC2)C1
InChIInChI=1S/C15H31N3O2S/c1-13(2)18-9-7-14(12-18)11-17-21(19,20)10-4-3-8-16-15-5-6-15/h13-17H,3-12H2,1-2H3
InChIKeyYPQQGKDFDWERJU-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.17
Rot. Bonds10

About 4-(cyclopropylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butane-1-sulfonamide

4-(cyclopropylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butane-1-sulfonamide (PubChem CID 106018008) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butane-1-sulfonamide
PubChem CID106018008
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC Name4-(cyclopropylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butane-1-sulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)CCCCNC2CC2)C1
InChIInChI=1S/C15H31N3O2S/c1-13(2)18-9-7-14(12-18)11-17-21(19,20)10-4-3-8-16-15-5-6-15/h13-17H,3-12H2,1-2H3
InChIKeyYPQQGKDFDWERJU-UHFFFAOYSA-N
XLogP1.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide
CID 106055704
4-(cyclopropylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]butane-1-sulfonamide
CID 106095136
N-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513787
1-(propan-2-ylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-2-sulfonamide
CID 106017991
N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 62582229
4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide
CID 114142377
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[4.5]decan-8-amine
CID 114817523
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine
CID 61207361
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
CID 106054130
4-(cyclopropylamino)-N-(thiolan-2-ylmethyl)butane-1-sulfonamide
CID 106071753
N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine
CID 61043784
1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 62976183

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butane-1-sulfonamide (CID 106018008) is 4-(cyclopropylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butane-1-sulfonamide is CC(C)N1CCC(CNS(=O)(=O)CCCCNC2CC2)C1.
What is the InChIKey of 4-(cyclopropylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butane-1-sulfonamide?
The InChIKey is YPQQGKDFDWERJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-13(2)18-9-7-14(12-18)11-17-21(19,20)10-4-3-8-16-15-5-6-15/h13-17H,3-12H2,1-2H3.
What are the key properties of 4-(cyclopropylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butane-1-sulfonamide?
4-(cyclopropylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butane-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.17, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 106018008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).