N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylethanesulfonamide

C14H24N2O2S2 — CID 129400273

IUPACN-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylethanesulfonamide
SMILESCc1cc([C@H](C)NS(=O)(=O)CCN2CCCC2)c(C)s1
InChIInChI=1S/C14H24N2O2S2/c1-11-10-14(13(3)19-11)12(2)15-20(17,18)9-8-16-6-4-5-7-16/h10,12,15H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyNUXSUGRVIZXBLO-LBPRGKRZSA-N
MW316.49 g/mol
LogP2.44
Rot. Bonds6

About N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylethanesulfonamide

N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylethanesulfonamide (PubChem CID 129400273) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylethanesulfonamide
PubChem CID129400273
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC NameN-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylethanesulfonamide
SMILESCc1cc([C@H](C)NS(=O)(=O)CCN2CCCC2)c(C)s1
InChIInChI=1S/C14H24N2O2S2/c1-11-10-14(13(3)19-11)12(2)15-20(17,18)9-8-16-6-4-5-7-16/h10,12,15H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyNUXSUGRVIZXBLO-LBPRGKRZSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylethanesulfonamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylethanesulfonamide (CID 129400273) is N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylethanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylethanesulfonamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylethanesulfonamide is Cc1cc([C@H](C)NS(=O)(=O)CCN2CCCC2)c(C)s1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylethanesulfonamide?
The InChIKey is NUXSUGRVIZXBLO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-11-10-14(13(3)19-11)12(2)15-20(17,18)9-8-16-6-4-5-7-16/h10,12,15H,4-9H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylethanesulfonamide?
N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylethanesulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylethanesulfonamide is sourced from PubChem (CID 129400273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).