N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide

C15H35N3O2S — CID 106052801

IUPACN-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCC(C)NCCCCS(=O)(=O)NCCCCN(C)C(C)C
InChIInChI=1S/C15H35N3O2S/c1-14(2)16-10-7-9-13-21(19,20)17-11-6-8-12-18(5)15(3)4/h14-17H,6-13H2,1-5H3
InChIKeyAWDUPUBZYNJIEJ-UHFFFAOYSA-N
MW321.53 g/mol
LogP1.80
Rot. Bonds13

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

N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide (PubChem CID 106052801) has the molecular formula C15H35N3O2S and a molecular weight of 321.53 g/mol. Its IUPAC name is N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide
PubChem CID106052801
Molecular FormulaC15H35N3O2S
Molecular Weight321.53 g/mol
Exact Mass321.24
IUPAC NameN-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCC(C)NCCCCS(=O)(=O)NCCCCN(C)C(C)C
InChIInChI=1S/C15H35N3O2S/c1-14(2)16-10-7-9-13-21(19,20)17-11-6-8-12-18(5)15(3)4/h14-17H,6-13H2,1-5H3
InChIKeyAWDUPUBZYNJIEJ-UHFFFAOYSA-N
XLogP1.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.53
LogP ≤ 51.80
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-[3-(dimethylamino)propyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54974106
1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
CID 63664575
4-(cyclopropylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]butane-1-sulfonamide
CID 106095136
N-[2-(dimethylamino)propyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114137556
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094
N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106080388
N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114131476
N-(6-methylsulfanylhexyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090419
N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
CID 60602606
N-[2-(2-methylpropoxy)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106085310
N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine
CID 138492017
N-[2-(3-methylbutoxy)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106018612

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide?
The IUPAC name of N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide (CID 106052801) is N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide.
What is the SMILES notation for N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide?
The canonical SMILES for N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide is CC(C)NCCCCS(=O)(=O)NCCCCN(C)C(C)C.
What is the InChIKey of N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide?
The InChIKey is AWDUPUBZYNJIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3O2S/c1-14(2)16-10-7-9-13-21(19,20)17-11-6-8-12-18(5)15(3)4/h14-17H,6-13H2,1-5H3.
What are the key properties of N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide?
N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide has a molecular weight of 321.53 g/mol, XLogP of 1.80, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide is sourced from PubChem (CID 106052801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).