4-methylsulfonyl-N-pentan-3-ylpiperazine-1-carboxamide

C11H23N3O3S — CID 108888440

IUPAC4-methylsulfonyl-N-pentan-3-ylpiperazine-1-carboxamide
SMILESCCC(CC)NC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H23N3O3S/c1-4-10(5-2)12-11(15)13-6-8-14(9-7-13)18(3,16)17/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyBNTZWDSZNYLNNA-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.46
Rot. Bonds4

About 4-methylsulfonyl-N-pentan-3-ylpiperazine-1-carboxamide

4-methylsulfonyl-N-pentan-3-ylpiperazine-1-carboxamide (PubChem CID 108888440) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-methylsulfonyl-N-pentan-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-pentan-3-ylpiperazine-1-carboxamide
PubChem CID108888440
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name4-methylsulfonyl-N-pentan-3-ylpiperazine-1-carboxamide
SMILESCCC(CC)NC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H23N3O3S/c1-4-10(5-2)12-11(15)13-6-8-14(9-7-13)18(3,16)17/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyBNTZWDSZNYLNNA-UHFFFAOYSA-N
XLogP0.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-methyl-2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]pentanoic acid
CID 62992431
4-methylsulfonyl-N-pentan-3-ylpiperidine-1-carboxamide
CID 90585273
(2S,3R)-3-hydroxy-2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]butanoic acid
CID 104966242
3-hydroxy-2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]butanoic acid
CID 62993106
4-methylsulfonyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 94102189
2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid
CID 62992600
3-methyl-4-[(4-methylsulfonylpiperazine-1-carbonyl)amino]butanoic acid
CID 81069892
(2R)-2-ethoxy-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
CID 94666820
3-(aminomethyl)-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 81075469
N-(2,2-dimethylpropyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 110749479
4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide
CID 146393563
(2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 107568869

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-pentan-3-ylpiperazine-1-carboxamide?
The IUPAC name of 4-methylsulfonyl-N-pentan-3-ylpiperazine-1-carboxamide (CID 108888440) is 4-methylsulfonyl-N-pentan-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-methylsulfonyl-N-pentan-3-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-methylsulfonyl-N-pentan-3-ylpiperazine-1-carboxamide is CCC(CC)NC(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-methylsulfonyl-N-pentan-3-ylpiperazine-1-carboxamide?
The InChIKey is BNTZWDSZNYLNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-4-10(5-2)12-11(15)13-6-8-14(9-7-13)18(3,16)17/h10H,4-9H2,1-3H3,(H,12,15).
What are the key properties of 4-methylsulfonyl-N-pentan-3-ylpiperazine-1-carboxamide?
4-methylsulfonyl-N-pentan-3-ylpiperazine-1-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-pentan-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 108888440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).