4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide

C14H31N3O2S — CID 106057650

IUPAC4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C14H31N3O2S/c1-14(2,12-17(3)4)11-16-20(18,19)10-6-5-9-15-13-7-8-13/h13,15-16H,5-12H2,1-4H3
InChIKeyRHTWBVIQWSWBRZ-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.03
Rot. Bonds11

About 4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide

4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide (PubChem CID 106057650) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide
PubChem CID106057650
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC Name4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C14H31N3O2S/c1-14(2,12-17(3)4)11-16-20(18,19)10-6-5-9-15-13-7-8-13/h13,15-16H,5-12H2,1-4H3
InChIKeyRHTWBVIQWSWBRZ-UHFFFAOYSA-N
XLogP1.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide
CID 114142377
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-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 54973937
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
CID 106054130
4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide
CID 115522833
3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide
CID 106062793
3-(cyclopropylamino)-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide
CID 83147568
4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide
CID 106410697
3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide
CID 114139088
4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 106092425
4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide
CID 106073825

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide (CID 106057650) is 4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide is CN(C)CC(C)(C)CNS(=O)(=O)CCCCNC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide?
The InChIKey is RHTWBVIQWSWBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-14(2,12-17(3)4)11-16-20(18,19)10-6-5-9-15-13-7-8-13/h13,15-16H,5-12H2,1-4H3.
What are the key properties of 4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide?
4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide has a molecular weight of 305.49 g/mol, XLogP of 1.03, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide is sourced from PubChem (CID 106057650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).