N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide

C16H30N2O3S — CID 71918621

IUPACN-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide
SMILESO=S(=O)(CCC1CCCO1)NC1CCN(CC2CCCC2)C1
InChIInChI=1S/C16H30N2O3S/c19-22(20,11-8-16-6-3-10-21-16)17-15-7-9-18(13-15)12-14-4-1-2-5-14/h14-17H,1-13H2
InChIKeyPQBWWWNDZDAEMQ-UHFFFAOYSA-N
MW330.49 g/mol
LogP1.74
Rot. Bonds7

About N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide

N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide (PubChem CID 71918621) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide
PubChem CID71918621
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC NameN-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide
SMILESO=S(=O)(CCC1CCCO1)NC1CCN(CC2CCCC2)C1
InChIInChI=1S/C16H30N2O3S/c19-22(20,11-8-16-6-3-10-21-16)17-15-7-9-18(13-15)12-14-4-1-2-5-14/h14-17H,1-13H2
InChIKeyPQBWWWNDZDAEMQ-UHFFFAOYSA-N
XLogP1.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95762000
N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
CID 99817441
N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide
CID 99827324
N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 154575693
N-[1-(cyclobutylmethyl)piperidin-3-yl]cyclopropanesulfonamide
CID 155800394
2-[(2S)-oxolan-2-yl]ethanesulfonyl chloride
CID 98112256
2-(oxolan-2-yl)ethanesulfonyl chloride
CID 65158435
1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 163326678
2-(bromomethyl)-4-(cyclopentylmethyl)morpholine
CID 81212858
N-(benzylsulfamoyl)-1-(oxolan-2-ylmethyl)piperidin-4-amine
CID 56914733
N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-(oxolan-2-yl)ethanesulfonamide
CID 75444572
1-(cyclopentylmethyl)-3-methylsulfonylpyrrolidine
CID 121183164

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide?
The IUPAC name of N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide (CID 71918621) is N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide?
The canonical SMILES for N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide is O=S(=O)(CCC1CCCO1)NC1CCN(CC2CCCC2)C1.
What is the InChIKey of N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide?
The InChIKey is PQBWWWNDZDAEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3S/c19-22(20,11-8-16-6-3-10-21-16)17-15-7-9-18(13-15)12-14-4-1-2-5-14/h14-17H,1-13H2.
What are the key properties of N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide?
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide has a molecular weight of 330.49 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide is sourced from PubChem (CID 71918621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).