N-[(3R)-2-chloro-2-methylpentan-3-yl]-2-methylpropane-2-sulfinamide

C10H22ClNOS — CID 102254700

IUPACN-[(3R)-2-chloro-2-methylpentan-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC[C@@H](NS(=O)C(C)(C)C)C(C)(C)Cl
InChIInChI=1S/C10H22ClNOS/c1-7-8(10(5,6)11)12-14(13)9(2,3)4/h8,12H,7H2,1-6H3/t8-,14?/m1/s1
InChIKeyIUNGJLKNZNCARM-ZSYIFEHUSA-N
MW239.81 g/mol
LogP2.83
Rot. Bonds4

About N-[(3R)-2-chloro-2-methylpentan-3-yl]-2-methylpropane-2-sulfinamide

N-[(3R)-2-chloro-2-methylpentan-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 102254700) has the molecular formula C10H22ClNOS and a molecular weight of 239.81 g/mol. Its IUPAC name is N-[(3R)-2-chloro-2-methylpentan-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(3R)-2-chloro-2-methylpentan-3-yl]-2-methylpropane-2-sulfinamide
PubChem CID102254700
Molecular FormulaC10H22ClNOS
Molecular Weight239.81 g/mol
Exact Mass239.11
IUPAC NameN-[(3R)-2-chloro-2-methylpentan-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC[C@@H](NS(=O)C(C)(C)C)C(C)(C)Cl
InChIInChI=1S/C10H22ClNOS/c1-7-8(10(5,6)11)12-14(13)9(2,3)4/h8,12H,7H2,1-6H3/t8-,14?/m1/s1
InChIKeyIUNGJLKNZNCARM-ZSYIFEHUSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.81
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(R)-N-[(2R)-butan-2-yl]-2-methylpropane-2-sulfinamide
CID 135056564
2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide
CID 101468580
(S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide
CID 135057244
N-[(2R)-hexan-2-yl]-2-methylpropane-2-sulfinamide
CID 101035801
N-[(2R)-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide
CID 102403460
(S)-N-[(1R)-1-cyclohexylpropyl]-2-methylpropane-2-sulfinamide
CID 124563966
(S)-N-(1-ethoxy-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide
CID 166148136
ethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate
CID 10751477
2-methyl-N-[1-(oxan-4-yl)propyl]propane-2-sulfinamide
CID 138706841
(R)-N-[(1S)-1-(furan-2-yl)propyl]-2-methylpropane-2-sulfinamide
CID 135000754
(S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide
CID 155213946
(3R)-3-[[(S)-tert-butylsulfinyl]amino]-N-methoxy-N,4,4-trimethylpentanamide
CID 11266332

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-chloro-2-methylpentan-3-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(3R)-2-chloro-2-methylpentan-3-yl]-2-methylpropane-2-sulfinamide (CID 102254700) is N-[(3R)-2-chloro-2-methylpentan-3-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(3R)-2-chloro-2-methylpentan-3-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(3R)-2-chloro-2-methylpentan-3-yl]-2-methylpropane-2-sulfinamide is CC[C@@H](NS(=O)C(C)(C)C)C(C)(C)Cl.
What is the InChIKey of N-[(3R)-2-chloro-2-methylpentan-3-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is IUNGJLKNZNCARM-ZSYIFEHUSA-N. The full InChI is InChI=1S/C10H22ClNOS/c1-7-8(10(5,6)11)12-14(13)9(2,3)4/h8,12H,7H2,1-6H3/t8-,14?/m1/s1.
What are the key properties of N-[(3R)-2-chloro-2-methylpentan-3-yl]-2-methylpropane-2-sulfinamide?
N-[(3R)-2-chloro-2-methylpentan-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 239.81 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-chloro-2-methylpentan-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 102254700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).