(R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide

C11H17ClN2OS — CID 163278753

IUPAC(R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cc(Cl)ccn1
InChIInChI=1S/C11H17ClN2OS/c1-8(14-16(15)11(2,3)4)10-7-9(12)5-6-13-10/h5-8,14H,1-4H3/t8-,16-/m1/s1
InChIKeyKVTBCXMZGAFWPP-VPTHRUTESA-N
MW260.79 g/mol
LogP2.85
Rot. Bonds3

About (R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 163278753) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is (R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID163278753
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name(R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cc(Cl)ccn1
InChIInChI=1S/C11H17ClN2OS/c1-8(14-16(15)11(2,3)4)10-7-9(12)5-6-13-10/h5-8,14H,1-4H3/t8-,16-/m1/s1
InChIKeyKVTBCXMZGAFWPP-VPTHRUTESA-N
XLogP2.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide (CID 163278753) is (R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide is C[C@@H](N[S@](=O)C(C)(C)C)c1cc(Cl)ccn1.
What is the InChIKey of (R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is KVTBCXMZGAFWPP-VPTHRUTESA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-8(14-16(15)11(2,3)4)10-7-9(12)5-6-13-10/h5-8,14H,1-4H3/t8-,16-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 260.79 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 163278753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).