2-cyclopropyl-N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]ethanesulfonamide

C13H24N2O2S — CID 97068720

IUPAC2-cyclopropyl-N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]ethanesulfonamide
SMILESO=S(=O)(CCC1CC1)N[C@H]1CCN(CC2CC2)C1
InChIInChI=1S/C13H24N2O2S/c16-18(17,8-6-11-1-2-11)14-13-5-7-15(10-13)9-12-3-4-12/h11-14H,1-10H2/t13-/m0/s1
InChIKeyNJZZIWUWPZYNGB-ZDUSSCGKSA-N
MW272.41 g/mol
LogP1.19
Rot. Bonds7

About 2-cyclopropyl-N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]ethanesulfonamide

2-cyclopropyl-N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]ethanesulfonamide (PubChem CID 97068720) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]ethanesulfonamide
PubChem CID97068720
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name2-cyclopropyl-N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]ethanesulfonamide
SMILESO=S(=O)(CCC1CC1)N[C@H]1CCN(CC2CC2)C1
InChIInChI=1S/C13H24N2O2S/c16-18(17,8-6-11-1-2-11)14-13-5-7-15(10-13)9-12-3-4-12/h11-14H,1-10H2/t13-/m0/s1
InChIKeyNJZZIWUWPZYNGB-ZDUSSCGKSA-N
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide
CID 91922807
3-[rel-(3R,4S)-3-amino-4-cyclopropyl-1-pyrrolidinyl]-N,N-dimethyl-1-propanesulfonamide dihydrochloride
CID 72927284
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide
CID 97574702
(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutan-2-amine
CID 58799617
1-(2-Methylpropylsulfonyl)pyrrolidin-3-amine
CID 64477202
N-[(3R)-1-tert-butylpyrrolidin-3-yl]cyclopropanesulfonamide
CID 90438041
N-[(3R)-1-methylpyrrolidin-3-yl]cyclopropanesulfonamide
CID 90442603
N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]cyclopropanesulfonamide
CID 130272189
1-cyclopropyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 141380585
N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]butane-1-sulfonamide
CID 53600657
N-(dicyclopropylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54971959
N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972511

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]ethanesulfonamide?
The IUPAC name of 2-cyclopropyl-N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]ethanesulfonamide (CID 97068720) is 2-cyclopropyl-N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]ethanesulfonamide.
What is the SMILES notation for 2-cyclopropyl-N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]ethanesulfonamide?
The canonical SMILES for 2-cyclopropyl-N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]ethanesulfonamide is O=S(=O)(CCC1CC1)N[C@H]1CCN(CC2CC2)C1.
What is the InChIKey of 2-cyclopropyl-N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]ethanesulfonamide?
The InChIKey is NJZZIWUWPZYNGB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H24N2O2S/c16-18(17,8-6-11-1-2-11)14-13-5-7-15(10-13)9-12-3-4-12/h11-14H,1-10H2/t13-/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]ethanesulfonamide?
2-cyclopropyl-N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]ethanesulfonamide has a molecular weight of 272.41 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 97068720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).