3-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]propanamide

C10H22N4O3S — CID 175918090

IUPAC3-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]propanamide
SMILESCS(=O)(=O)NCCN1CCN(CCC(N)=O)CC1
InChIInChI=1S/C10H22N4O3S/c1-18(16,17)12-3-5-14-8-6-13(7-9-14)4-2-10(11)15/h12H,2-9H2,1H3,(H2,11,15)
InChIKeyZZAUCGJPJVKALT-UHFFFAOYSA-N
MW278.38 g/mol
LogP-1.97
Rot. Bonds7

About 3-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]propanamide

3-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]propanamide (PubChem CID 175918090) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]propanamide
PubChem CID175918090
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC Name3-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]propanamide
SMILESCS(=O)(=O)NCCN1CCN(CCC(N)=O)CC1
InChIInChI=1S/C10H22N4O3S/c1-18(16,17)12-3-5-14-8-6-13(7-9-14)4-2-10(11)15/h12H,2-9H2,1H3,(H2,11,15)
InChIKeyZZAUCGJPJVKALT-UHFFFAOYSA-N
XLogP-1.97
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 5-1.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]methanesulfonamide
CID 82888935
N-[3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propyl]methanesulfonamide
CID 86842598
3-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]propanamide
CID 63336166
3-[4-[3-(4-methylpentylamino)-3-oxopropyl]piperazin-1-yl]propanamide
CID 167209930
N-[3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propyl]methanesulfonamide
CID 86842577
5-[4-(2-aminoethyl)piperazin-1-yl]pentanamide
CID 176925582
3-[4-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 115304874
3-(4-butan-2-ylpiperazin-1-yl)propanamide
CID 62772700
7-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]thieno[2,3-c]pyridine-2-carboxamide
CID 90398914
N-[2-(3-aminopiperidin-1-yl)ethyl]methanesulfonamide;hydrochloride
CID 119910084
2-[4-(3-amino-3-oxopropyl)-1,4-diazepan-1-yl]acetic acid
CID 62823266
N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 47028347

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]propanamide?
The IUPAC name of 3-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]propanamide (CID 175918090) is 3-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for 3-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]propanamide?
The canonical SMILES for 3-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]propanamide is CS(=O)(=O)NCCN1CCN(CCC(N)=O)CC1.
What is the InChIKey of 3-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]propanamide?
The InChIKey is ZZAUCGJPJVKALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-18(16,17)12-3-5-14-8-6-13(7-9-14)4-2-10(11)15/h12H,2-9H2,1H3,(H2,11,15).
What are the key properties of 3-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]propanamide?
3-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]propanamide has a molecular weight of 278.38 g/mol, XLogP of -1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(methanesulfonamido)ethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 175918090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).