(2S)-N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-methoxypropane-1-sulfonamide

C14H28N2O3S — CID 99843718

IUPAC(2S)-N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-methoxypropane-1-sulfonamide
SMILESCO[C@@H](C)CS(=O)(=O)N[C@H]1CCN(CC2CCCC2)C1
InChIInChI=1S/C14H28N2O3S/c1-12(19-2)11-20(17,18)15-14-7-8-16(10-14)9-13-5-3-4-6-13/h12-15H,3-11H2,1-2H3/t12-,14-/m0/s1
InChIKeyGDEODOLLRJMRCG-JSGCOSHPSA-N
MW304.46 g/mol
LogP1.21
Rot. Bonds7

About (2S)-N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-methoxypropane-1-sulfonamide

(2S)-N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-methoxypropane-1-sulfonamide (PubChem CID 99843718) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is (2S)-N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-methoxypropane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-methoxypropane-1-sulfonamide
PubChem CID99843718
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name(2S)-N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-methoxypropane-1-sulfonamide
SMILESCO[C@@H](C)CS(=O)(=O)N[C@H]1CCN(CC2CCCC2)C1
InChIInChI=1S/C14H28N2O3S/c1-12(19-2)11-20(17,18)15-14-7-8-16(10-14)9-13-5-3-4-6-13/h12-15H,3-11H2,1-2H3/t12-,14-/m0/s1
InChIKeyGDEODOLLRJMRCG-JSGCOSHPSA-N
XLogP1.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-methoxypropane-1-sulfonamide?
The IUPAC name of (2S)-N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-methoxypropane-1-sulfonamide (CID 99843718) is (2S)-N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-methoxypropane-1-sulfonamide.
What is the SMILES notation for (2S)-N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-methoxypropane-1-sulfonamide?
The canonical SMILES for (2S)-N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-methoxypropane-1-sulfonamide is CO[C@@H](C)CS(=O)(=O)N[C@H]1CCN(CC2CCCC2)C1.
What is the InChIKey of (2S)-N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-methoxypropane-1-sulfonamide?
The InChIKey is GDEODOLLRJMRCG-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-12(19-2)11-20(17,18)15-14-7-8-16(10-14)9-13-5-3-4-6-13/h12-15H,3-11H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of (2S)-N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-methoxypropane-1-sulfonamide?
(2S)-N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-methoxypropane-1-sulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-methoxypropane-1-sulfonamide is sourced from PubChem (CID 99843718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).