4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide

C13H29N3O2S — CID 106055704

IUPAC4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide
SMILESCC(C)N(C)CCNS(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C13H29N3O2S/c1-12(2)16(3)10-9-15-19(17,18)11-5-4-8-14-13-6-7-13/h12-15H,4-11H2,1-3H3
InChIKeyMTKYIUJQPQSIPN-UHFFFAOYSA-N
MW291.46 g/mol
LogP0.78
Rot. Bonds11

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

4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide (PubChem CID 106055704) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide
PubChem CID106055704
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide
SMILESCC(C)N(C)CCNS(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C13H29N3O2S/c1-12(2)16(3)10-9-15-19(17,18)11-5-4-8-14-13-6-7-13/h12-15H,4-11H2,1-3H3
InChIKeyMTKYIUJQPQSIPN-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 50.78
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-[3-[methyl(propan-2-yl)amino]propyl]butane-1-sulfonamide
CID 106095136
3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide
CID 106062793
3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide
CID 114139088
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
CID 106054130
4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide
CID 114142377
4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol
CID 106594550
3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide
CID 114141000
4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide
CID 106057650
4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid
CID 55097859
N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106052801
N-cyclopentyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60850712
4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide
CID 115522833

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide (CID 106055704) is 4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide is CC(C)N(C)CCNS(=O)(=O)CCCCNC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide?
The InChIKey is MTKYIUJQPQSIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-12(2)16(3)10-9-15-19(17,18)11-5-4-8-14-13-6-7-13/h12-15H,4-11H2,1-3H3.
What are the key properties of 4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide?
4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide has a molecular weight of 291.46 g/mol, XLogP of 0.78, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide is sourced from PubChem (CID 106055704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).