2-cyclopentylsulfonyl-N-methylpropan-1-amine

C9H19NO2S — CID 106512846

IUPAC2-cyclopentylsulfonyl-N-methylpropan-1-amine
SMILESCNCC(C)S(=O)(=O)C1CCCC1
InChIInChI=1S/C9H19NO2S/c1-8(7-10-2)13(11,12)9-5-3-4-6-9/h8-10H,3-7H2,1-2H3
InChIKeyJWZCSZVNPQMYNO-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.95
Rot. Bonds4

About 2-cyclopentylsulfonyl-N-methylpropan-1-amine

2-cyclopentylsulfonyl-N-methylpropan-1-amine (PubChem CID 106512846) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-N-methylpropan-1-amine
PubChem CID106512846
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-cyclopentylsulfonyl-N-methylpropan-1-amine
SMILESCNCC(C)S(=O)(=O)C1CCCC1
InChIInChI=1S/C9H19NO2S/c1-8(7-10-2)13(11,12)9-5-3-4-6-9/h8-10H,3-7H2,1-2H3
InChIKeyJWZCSZVNPQMYNO-UHFFFAOYSA-N
XLogP0.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Butylamino)-1lambda6-thiolane-1,1-dione
CID 2831159
N-methyl-3-[(4,4,5,5,5-pentafluoropentyl)sulphonyl]propane-1-amine
CID 15542255
(3-Methanesulfonylpropyl)(methyl)amine
CID 22277805
3-(2-Methylpropane-2-sulfonyl)pyrrolidine
CID 76145204
N-methyl-3-(5,5,5-trifluoropentylsulfonyl)propan-1-amine
CID 86696833
N-Methyl-3-[(4,4,4-trifluorobutyl)sulphonyl]propane-1-amine
CID 86696842
N-methyl-3-(6,6,6-trifluorohexylsulfonyl)propan-1-amine
CID 86696843
N-(trideuteriomethyl)-3-(5,5,5-trifluoropentylsulfonyl)propan-1-amine
CID 89817611
4-(5-fluoropentan-2-ylsulfonyl)-N-methylbutan-1-amine
CID 123190551
3-(6,6-difluorohexylsulfonyl)-N-methylpropan-1-amine
CID 123753527
2-fluoro-2-hexylsulfonyl-N-methylethanamine
CID 173408148
Butylaminosulfolane
CID 129793596

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-N-methylpropan-1-amine?
The IUPAC name of 2-cyclopentylsulfonyl-N-methylpropan-1-amine (CID 106512846) is 2-cyclopentylsulfonyl-N-methylpropan-1-amine.
What is the SMILES notation for 2-cyclopentylsulfonyl-N-methylpropan-1-amine?
The canonical SMILES for 2-cyclopentylsulfonyl-N-methylpropan-1-amine is CNCC(C)S(=O)(=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylsulfonyl-N-methylpropan-1-amine?
The InChIKey is JWZCSZVNPQMYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(7-10-2)13(11,12)9-5-3-4-6-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-cyclopentylsulfonyl-N-methylpropan-1-amine?
2-cyclopentylsulfonyl-N-methylpropan-1-amine has a molecular weight of 205.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-N-methylpropan-1-amine is sourced from PubChem (CID 106512846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).