4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide

C14H21N3O4S2 — CID 119986909

IUPAC4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide
SMILESNCC(NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C1CC1
InChIInChI=1S/C14H21N3O4S2/c15-9-14(10-1-2-10)17-23(20,21)13-7-5-12(6-8-13)22(18,19)16-11-3-4-11/h5-8,10-11,14,16-17H,1-4,9,15H2
InChIKeyWOQXVQAVBLPFMT-UHFFFAOYSA-N
MW359.47 g/mol
LogP0.14
Rot. Bonds8

About 4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide

4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide (PubChem CID 119986909) has the molecular formula C14H21N3O4S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide
PubChem CID119986909
Molecular FormulaC14H21N3O4S2
Molecular Weight359.47 g/mol
Exact Mass359.10
IUPAC Name4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide
SMILESNCC(NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C1CC1
InChIInChI=1S/C14H21N3O4S2/c15-9-14(10-1-2-10)17-23(20,21)13-7-5-12(6-8-13)22(18,19)16-11-3-4-11/h5-8,10-11,14,16-17H,1-4,9,15H2
InChIKeyWOQXVQAVBLPFMT-UHFFFAOYSA-N
XLogP0.14
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide
CID 65188828
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]benzamide
CID 106737961
4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119993234
N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119986951
N-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 65188769
N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120585169
N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86820092
N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119612928
N-(2-amino-1-cyclopropylethyl)naphthalene-2-sulfonamide
CID 65188771
N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide
CID 119986768

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide?
The IUPAC name of 4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide (CID 119986909) is 4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide?
The canonical SMILES for 4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide is NCC(NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C1CC1.
What is the InChIKey of 4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide?
The InChIKey is WOQXVQAVBLPFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S2/c15-9-14(10-1-2-10)17-23(20,21)13-7-5-12(6-8-13)22(18,19)16-11-3-4-11/h5-8,10-11,14,16-17H,1-4,9,15H2.
What are the key properties of 4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide?
4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide has a molecular weight of 359.47 g/mol, XLogP of 0.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide is sourced from PubChem (CID 119986909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).