1-[2-(dimethylsulfamoylamino)acetyl]-2-(2-methylpropyl)-3-oxopiperazine

C12H24N4O4S — CID 126816919

IUPAC1-[2-(dimethylsulfamoylamino)acetyl]-2-(2-methylpropyl)-3-oxopiperazine
SMILESCC(C)CC1C(=O)NCCN1C(=O)CNS(=O)(=O)N(C)C
InChIInChI=1S/C12H24N4O4S/c1-9(2)7-10-12(18)13-5-6-16(10)11(17)8-14-21(19,20)15(3)4/h9-10,14H,5-8H2,1-4H3,(H,13,18)
InChIKeyNGODSRWFAOPOGH-UHFFFAOYSA-N
MW320.42 g/mol
LogP-1.24
Rot. Bonds6

About 1-[2-(dimethylsulfamoylamino)acetyl]-2-(2-methylpropyl)-3-oxopiperazine

1-[2-(dimethylsulfamoylamino)acetyl]-2-(2-methylpropyl)-3-oxopiperazine (PubChem CID 126816919) has the molecular formula C12H24N4O4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoylamino)acetyl]-2-(2-methylpropyl)-3-oxopiperazine.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoylamino)acetyl]-2-(2-methylpropyl)-3-oxopiperazine
PubChem CID126816919
Molecular FormulaC12H24N4O4S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC Name1-[2-(dimethylsulfamoylamino)acetyl]-2-(2-methylpropyl)-3-oxopiperazine
SMILESCC(C)CC1C(=O)NCCN1C(=O)CNS(=O)(=O)N(C)C
InChIInChI=1S/C12H24N4O4S/c1-9(2)7-10-12(18)13-5-6-16(10)11(17)8-14-21(19,20)15(3)4/h9-10,14H,5-8H2,1-4H3,(H,13,18)
InChIKeyNGODSRWFAOPOGH-UHFFFAOYSA-N
XLogP-1.24
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one
CID 63602812
4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one
CID 122153522
4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one
CID 63600887
methyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate
CID 125144565
4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 122151737
(2S)-2-amino-N-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82962479
(2S)-N-[3-(dimethylamino)-2-methylphenyl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 99826136
4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one
CID 122151740
4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one
CID 136534377
1-[2-(dimethylsulfamoylamino)acetyl]-4-methylpiperidine
CID 112991016
2-methylpropyl 2-[1-[2-(tert-butylamino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54813767
4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 146124789

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoylamino)acetyl]-2-(2-methylpropyl)-3-oxopiperazine?
The IUPAC name of 1-[2-(dimethylsulfamoylamino)acetyl]-2-(2-methylpropyl)-3-oxopiperazine (CID 126816919) is 1-[2-(dimethylsulfamoylamino)acetyl]-2-(2-methylpropyl)-3-oxopiperazine.
What is the SMILES notation for 1-[2-(dimethylsulfamoylamino)acetyl]-2-(2-methylpropyl)-3-oxopiperazine?
The canonical SMILES for 1-[2-(dimethylsulfamoylamino)acetyl]-2-(2-methylpropyl)-3-oxopiperazine is CC(C)CC1C(=O)NCCN1C(=O)CNS(=O)(=O)N(C)C.
What is the InChIKey of 1-[2-(dimethylsulfamoylamino)acetyl]-2-(2-methylpropyl)-3-oxopiperazine?
The InChIKey is NGODSRWFAOPOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O4S/c1-9(2)7-10-12(18)13-5-6-16(10)11(17)8-14-21(19,20)15(3)4/h9-10,14H,5-8H2,1-4H3,(H,13,18).
What are the key properties of 1-[2-(dimethylsulfamoylamino)acetyl]-2-(2-methylpropyl)-3-oxopiperazine?
1-[2-(dimethylsulfamoylamino)acetyl]-2-(2-methylpropyl)-3-oxopiperazine has a molecular weight of 320.42 g/mol, XLogP of -1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoylamino)acetyl]-2-(2-methylpropyl)-3-oxopiperazine is sourced from PubChem (CID 126816919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).