4-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide

C15H25N3O2S — CID 106005891

IUPAC4-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide
SMILESCN(C)c1ccccc1NS(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C15H25N3O2S/c1-18(2)15-8-4-3-7-14(15)17-21(19,20)12-6-5-11-16-13-9-10-13/h3-4,7-8,13,16-17H,5-6,9-12H2,1-2H3
InChIKeyAPKGUKFVIAYDDM-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.03
Rot. Bonds9

About 4-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide

4-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide (PubChem CID 106005891) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide
PubChem CID106005891
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide
SMILESCN(C)c1ccccc1NS(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C15H25N3O2S/c1-18(2)15-8-4-3-7-14(15)17-21(19,20)12-6-5-11-16-13-9-10-13/h3-4,7-8,13,16-17H,5-6,9-12H2,1-2H3
InChIKeyAPKGUKFVIAYDDM-UHFFFAOYSA-N
XLogP2.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.03
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

N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
CID 106061301
4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide
CID 116815712
4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide
CID 106003237
3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide
CID 107591687
4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide
CID 106071188
3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide
CID 106030688
N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106031181
N-(2-bromo-4-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106043185
4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide
CID 106060068
4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide
CID 106059988
N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106073353
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106029188

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide (CID 106005891) is 4-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide is CN(C)c1ccccc1NS(=O)(=O)CCCCNC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide?
The InChIKey is APKGUKFVIAYDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-18(2)15-8-4-3-7-14(15)17-21(19,20)12-6-5-11-16-13-9-10-13/h3-4,7-8,13,16-17H,5-6,9-12H2,1-2H3.
What are the key properties of 4-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide?
4-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 106005891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).