N-[(1S)-1-(6-cyclopropyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide

C14H22N2OS — CID 89479371

IUPACN-[(1S)-1-(6-cyclopropyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@H](NS(=O)C(C)(C)C)c1ccc(C2CC2)nc1
InChIInChI=1S/C14H22N2OS/c1-10(16-18(17)14(2,3)4)12-7-8-13(15-9-12)11-5-6-11/h7-11,16H,5-6H2,1-4H3/t10-,18?/m0/s1
InChIKeyBLEGNILWSMOBMQ-APDXDRDNSA-N
MW266.41 g/mol
LogP3.07
Rot. Bonds4

About N-[(1S)-1-(6-cyclopropyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide

N-[(1S)-1-(6-cyclopropyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 89479371) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[(1S)-1-(6-cyclopropyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1-(6-cyclopropyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID89479371
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[(1S)-1-(6-cyclopropyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@H](NS(=O)C(C)(C)C)c1ccc(C2CC2)nc1
InChIInChI=1S/C14H22N2OS/c1-10(16-18(17)14(2,3)4)12-7-8-13(15-9-12)11-5-6-11/h7-11,16H,5-6H2,1-4H3/t10-,18?/m0/s1
InChIKeyBLEGNILWSMOBMQ-APDXDRDNSA-N
XLogP3.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane
CID 159800437
(S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide
CID 156777027
(S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86732639
(R)-N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
CID 67509758
2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 102512778
(R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide
CID 121397426
2-methyl-N-[(1R)-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 102512780
(R)-2-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide
CID 67509888
2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]propane-2-sulfinamide
CID 87426537
N-[(1R)-1-(3-chloroisoquinolin-6-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 129107018
(R)-2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide
CID 170836453
(S)-N-[(1R)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 166761077

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(6-cyclopropyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-1-(6-cyclopropyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide (CID 89479371) is N-[(1S)-1-(6-cyclopropyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1-(6-cyclopropyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1-(6-cyclopropyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide is C[C@H](NS(=O)C(C)(C)C)c1ccc(C2CC2)nc1.
What is the InChIKey of N-[(1S)-1-(6-cyclopropyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is BLEGNILWSMOBMQ-APDXDRDNSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(16-18(17)14(2,3)4)12-7-8-13(15-9-12)11-5-6-11/h7-11,16H,5-6H2,1-4H3/t10-,18?/m0/s1.
What are the key properties of N-[(1S)-1-(6-cyclopropyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
N-[(1S)-1-(6-cyclopropyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 266.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(6-cyclopropyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 89479371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).