3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine

C12H27N3O2S — CID 65098202

IUPAC3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
SMILESCCS(=O)(=O)CCCN(C)CCN1CCNCC1
InChIInChI=1S/C12H27N3O2S/c1-3-18(16,17)12-4-7-14(2)10-11-15-8-5-13-6-9-15/h13H,3-12H2,1-2H3
InChIKeyVGXYKNAWIACMDY-UHFFFAOYSA-N
MW277.43 g/mol
LogP-0.35
Rot. Bonds8

About 3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine

3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine (PubChem CID 65098202) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
PubChem CID65098202
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
SMILESCCS(=O)(=O)CCCN(C)CCN1CCNCC1
InChIInChI=1S/C12H27N3O2S/c1-3-18(16,17)12-4-7-14(2)10-11-15-8-5-13-6-9-15/h13H,3-12H2,1-2H3
InChIKeyVGXYKNAWIACMDY-UHFFFAOYSA-N
XLogP-0.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(2-piperazin-1-ylethyl)nonan-1-amine
CID 63265554
N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine
CID 63695224
1-(3-decylsulfonylpropyl)piperazine
CID 150001783
N,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
CID 126510399
N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine
CID 63265346
3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide
CID 63287773
N-methyl-2-piperazin-1-yl-N-(2-pyrazol-1-ylethyl)ethanamine
CID 63266461
N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 118527469
N-ethyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 60849674
2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119391501
N-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 63009964
methyl N-[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]carbamate
CID 55167527

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine?
The IUPAC name of 3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine (CID 65098202) is 3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine.
What is the SMILES notation for 3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine?
The canonical SMILES for 3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine is CCS(=O)(=O)CCCN(C)CCN1CCNCC1.
What is the InChIKey of 3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine?
The InChIKey is VGXYKNAWIACMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-3-18(16,17)12-4-7-14(2)10-11-15-8-5-13-6-9-15/h13H,3-12H2,1-2H3.
What are the key properties of 3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine?
3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine has a molecular weight of 277.43 g/mol, XLogP of -0.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine is sourced from PubChem (CID 65098202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).