4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide

C14H23N5O3S — CID 108875241

IUPAC4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)N2CCN(CCN)CC2)cc1
InChIInChI=1S/C14H23N5O3S/c1-23(21,22)17-13-4-2-12(3-5-13)16-14(20)19-10-8-18(7-6-15)9-11-19/h2-5,17H,6-11,15H2,1H3,(H,16,20)
InChIKeyHJTKPOCMOONMKJ-UHFFFAOYSA-N
MW341.44 g/mol
LogP0.17
Rot. Bonds5

About 4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide

4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide (PubChem CID 108875241) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide
PubChem CID108875241
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC Name4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)N2CCN(CCN)CC2)cc1
InChIInChI=1S/C14H23N5O3S/c1-23(21,22)17-13-4-2-12(3-5-13)16-14(20)19-10-8-18(7-6-15)9-11-19/h2-5,17H,6-11,15H2,1H3,(H,16,20)
InChIKeyHJTKPOCMOONMKJ-UHFFFAOYSA-N
XLogP0.17
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide
CID 108869241
4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894759
4-formyl-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide
CID 108875353
4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252398
4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 67037713
4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide;hydrochloride
CID 67037712
N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 43592283
N-[4-(methylamino)phenyl]-4-propylpiperazine-1-carboxamide
CID 59608963
4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 108866656
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide
CID 17184975
4-(4-aminobutyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252424

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide (CID 108875241) is 4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide is CS(=O)(=O)Nc1ccc(NC(=O)N2CCN(CCN)CC2)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide?
The InChIKey is HJTKPOCMOONMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-23(21,22)17-13-4-2-12(3-5-13)16-14(20)19-10-8-18(7-6-15)9-11-19/h2-5,17H,6-11,15H2,1H3,(H,16,20).
What are the key properties of 4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide?
4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 108875241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).