(S)-N-[(1R)-1-(1-cyanocyclopentyl)ethyl]-2-methylpropane-2-sulfinamide

C12H22N2OS — CID 71288952

IUPAC(S)-N-[(1R)-1-(1-cyanocyclopentyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@@](=O)C(C)(C)C)C1(C#N)CCCC1
InChIInChI=1S/C12H22N2OS/c1-10(14-16(15)11(2,3)4)12(9-13)7-5-6-8-12/h10,14H,5-8H2,1-4H3/t10-,16+/m1/s1
InChIKeyDDPBBLOGTFSOQJ-HWPZZCPQSA-N
MW242.39 g/mol
LogP2.51
Rot. Bonds3

About (S)-N-[(1R)-1-(1-cyanocyclopentyl)ethyl]-2-methylpropane-2-sulfinamide

(S)-N-[(1R)-1-(1-cyanocyclopentyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 71288952) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is (S)-N-[(1R)-1-(1-cyanocyclopentyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1R)-1-(1-cyanocyclopentyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID71288952
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name(S)-N-[(1R)-1-(1-cyanocyclopentyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@@](=O)C(C)(C)C)C1(C#N)CCCC1
InChIInChI=1S/C12H22N2OS/c1-10(14-16(15)11(2,3)4)12(9-13)7-5-6-8-12/h10,14H,5-8H2,1-4H3/t10-,16+/m1/s1
InChIKeyDDPBBLOGTFSOQJ-HWPZZCPQSA-N
XLogP2.51
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1R)-1-(1-cyanocyclopentyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(1R)-1-(1-cyanocyclopentyl)ethyl]-2-methylpropane-2-sulfinamide (CID 71288952) is (S)-N-[(1R)-1-(1-cyanocyclopentyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1R)-1-(1-cyanocyclopentyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1R)-1-(1-cyanocyclopentyl)ethyl]-2-methylpropane-2-sulfinamide is C[C@@H](N[S@@](=O)C(C)(C)C)C1(C#N)CCCC1.
What is the InChIKey of (S)-N-[(1R)-1-(1-cyanocyclopentyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is DDPBBLOGTFSOQJ-HWPZZCPQSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-10(14-16(15)11(2,3)4)12(9-13)7-5-6-8-12/h10,14H,5-8H2,1-4H3/t10-,16+/m1/s1.
What are the key properties of (S)-N-[(1R)-1-(1-cyanocyclopentyl)ethyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(1R)-1-(1-cyanocyclopentyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 242.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1R)-1-(1-cyanocyclopentyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 71288952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).