4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide

C15H25N3O4S2 — CID 119993234

IUPAC4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C15H25N3O4S2/c1-2-3-4-13(11-16)18-24(21,22)15-9-7-14(8-10-15)23(19,20)17-12-5-6-12/h7-10,12-13,17-18H,2-6,11,16H2,1H3
InChIKeyNFEFZHMTCHMXDI-UHFFFAOYSA-N
MW375.52 g/mol
LogP0.92
Rot. Bonds10

About 4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide

4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide (PubChem CID 119993234) has the molecular formula C15H25N3O4S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide
PubChem CID119993234
Molecular FormulaC15H25N3O4S2
Molecular Weight375.52 g/mol
Exact Mass375.13
IUPAC Name4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C15H25N3O4S2/c1-2-3-4-13(11-16)18-24(21,22)15-9-7-14(8-10-15)23(19,20)17-12-5-6-12/h7-10,12-13,17-18H,2-6,11,16H2,1H3
InChIKeyNFEFZHMTCHMXDI-UHFFFAOYSA-N
XLogP0.92
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 80697633
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119992966
N-(1-aminohexan-2-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86813393
4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119986909
N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride
CID 119993076
N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119993050
4-(1-aminohexan-2-ylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
CID 120712524
N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide
CID 97225499
4-N-(1-aminopropan-2-yl)-1-N-cyclopropyl-4-N-methylbenzene-1,4-disulfonamide
CID 119982801

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide?
The IUPAC name of 4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide (CID 119993234) is 4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide?
The canonical SMILES for 4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide is CCCCC(CN)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide?
The InChIKey is NFEFZHMTCHMXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S2/c1-2-3-4-13(11-16)18-24(21,22)15-9-7-14(8-10-15)23(19,20)17-12-5-6-12/h7-10,12-13,17-18H,2-6,11,16H2,1H3.
What are the key properties of 4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide?
4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide has a molecular weight of 375.52 g/mol, XLogP of 0.92, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide is sourced from PubChem (CID 119993234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).