1-[2-(dimethylsulfamoylamino)acetyl]-4-ethylpiperazine

C10H22N4O3S — CID 112991732

IUPAC1-[2-(dimethylsulfamoylamino)acetyl]-4-ethylpiperazine
SMILESCCN1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C10H22N4O3S/c1-4-13-5-7-14(8-6-13)10(15)9-11-18(16,17)12(2)3/h11H,4-9H2,1-3H3
InChIKeyBDQQQMPIBHNDTN-UHFFFAOYSA-N
MW278.38 g/mol
LogP-1.45
Rot. Bonds5

About 1-[2-(dimethylsulfamoylamino)acetyl]-4-ethylpiperazine

1-[2-(dimethylsulfamoylamino)acetyl]-4-ethylpiperazine (PubChem CID 112991732) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoylamino)acetyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoylamino)acetyl]-4-ethylpiperazine
PubChem CID112991732
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC Name1-[2-(dimethylsulfamoylamino)acetyl]-4-ethylpiperazine
SMILESCCN1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C10H22N4O3S/c1-4-13-5-7-14(8-6-13)10(15)9-11-18(16,17)12(2)3/h11H,4-9H2,1-3H3
InChIKeyBDQQQMPIBHNDTN-UHFFFAOYSA-N
XLogP-1.45
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylsulfamoylamino)acetyl]-4-methylpiperidine
CID 112991016
1-(4-ethylpiperazin-1-yl)-2-(methylamino)ethanone
CID 24706244
8-[2-(dimethylsulfamoylamino)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112994198
1,3-bis(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944495
2-amino-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 60847921
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677
1-[3-(dimethylsulfamoylamino)propanoyl]piperidine
CID 47305171
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide
CID 112991752
7-[2-(dimethylsulfamoylamino)acetyl]-3-(2-hydroxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 167792810
2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108993559
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide
CID 7964496
N-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113147861

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoylamino)acetyl]-4-ethylpiperazine?
The IUPAC name of 1-[2-(dimethylsulfamoylamino)acetyl]-4-ethylpiperazine (CID 112991732) is 1-[2-(dimethylsulfamoylamino)acetyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[2-(dimethylsulfamoylamino)acetyl]-4-ethylpiperazine?
The canonical SMILES for 1-[2-(dimethylsulfamoylamino)acetyl]-4-ethylpiperazine is CCN1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1.
What is the InChIKey of 1-[2-(dimethylsulfamoylamino)acetyl]-4-ethylpiperazine?
The InChIKey is BDQQQMPIBHNDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-4-13-5-7-14(8-6-13)10(15)9-11-18(16,17)12(2)3/h11H,4-9H2,1-3H3.
What are the key properties of 1-[2-(dimethylsulfamoylamino)acetyl]-4-ethylpiperazine?
1-[2-(dimethylsulfamoylamino)acetyl]-4-ethylpiperazine has a molecular weight of 278.38 g/mol, XLogP of -1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoylamino)acetyl]-4-ethylpiperazine is sourced from PubChem (CID 112991732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).