(4R)-4-cyclopropyl-4-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-methylbutane-2-sulfinamide

C13H23NO2S — CID 166506868

IUPAC(4R)-4-cyclopropyl-4-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-methylbutane-2-sulfinamide
SMILESCC(C)(C[C@H](C1CC1)[C@@H]1CCC=CO1)S(N)=O
InChIInChI=1S/C13H23NO2S/c1-13(2,17(14)15)9-11(10-6-7-10)12-5-3-4-8-16-12/h4,8,10-12H,3,5-7,9,14H2,1-2H3/t11-,12+,17?/m1/s1
InChIKeySAXBTBCMQKCASV-XGDHHHFCSA-N
MW257.40 g/mol
LogP2.50
Rot. Bonds5

About (4R)-4-cyclopropyl-4-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-methylbutane-2-sulfinamide

(4R)-4-cyclopropyl-4-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-methylbutane-2-sulfinamide (PubChem CID 166506868) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is (4R)-4-cyclopropyl-4-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-methylbutane-2-sulfinamide.

Molecular Properties

Compound Name(4R)-4-cyclopropyl-4-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-methylbutane-2-sulfinamide
PubChem CID166506868
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name(4R)-4-cyclopropyl-4-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-methylbutane-2-sulfinamide
SMILESCC(C)(C[C@H](C1CC1)[C@@H]1CCC=CO1)S(N)=O
InChIInChI=1S/C13H23NO2S/c1-13(2,17(14)15)9-11(10-6-7-10)12-5-3-4-8-16-12/h4,8,10-12H,3,5-7,9,14H2,1-2H3/t11-,12+,17?/m1/s1
InChIKeySAXBTBCMQKCASV-XGDHHHFCSA-N
XLogP2.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-4-cyclopropyl-4-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-methylbutane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3,4-dihydro-2H-pyran-2-yl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide
CID 166506881
1-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol
CID 130121969
(R)-N-[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethyl]-2-methylpropane-2-sulfinamide;(2S)-2-propan-2-yl-3,4-dihydro-2H-pyran
CID 167691382
(4R)-4-cyclopentyl-2-methylpentane-2-sulfinamide
CID 140642111
(4R)-5-cyano-4-cyclopropyl-2-methylpentane-2-sulfinamide
CID 140571166
2-(1-bromoethyl)-3,4-dihydro-2H-pyran
CID 174413074
tert-butyl-[(1S)-1-[(2R)-3,4-dihydro-2H-pyran-2-yl]propoxy]-dimethylsilane
CID 124635026
(1R)-N-tert-butylsulfanyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethanamine
CID 142537443
1-(3,4-dihydro-2H-pyran-2-yl)but-2-en-1-ol
CID 142737385
(4S)-5,5-difluoro-4-(hydroxymethyl)-2-methylpentane-2-sulfinamide
CID 171590273
(2R)-2-tert-butyl-4,5-dihydro-1,3-dioxepine
CID 11321086
2-(2-methylpropyl)-3,4-dihydro-2H-pyran
CID 59744004

Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyclopropyl-4-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-methylbutane-2-sulfinamide?
The IUPAC name of (4R)-4-cyclopropyl-4-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-methylbutane-2-sulfinamide (CID 166506868) is (4R)-4-cyclopropyl-4-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-methylbutane-2-sulfinamide.
What is the SMILES notation for (4R)-4-cyclopropyl-4-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-methylbutane-2-sulfinamide?
The canonical SMILES for (4R)-4-cyclopropyl-4-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-methylbutane-2-sulfinamide is CC(C)(C[C@H](C1CC1)[C@@H]1CCC=CO1)S(N)=O.
What is the InChIKey of (4R)-4-cyclopropyl-4-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-methylbutane-2-sulfinamide?
The InChIKey is SAXBTBCMQKCASV-XGDHHHFCSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-13(2,17(14)15)9-11(10-6-7-10)12-5-3-4-8-16-12/h4,8,10-12H,3,5-7,9,14H2,1-2H3/t11-,12+,17?/m1/s1.
What are the key properties of (4R)-4-cyclopropyl-4-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-methylbutane-2-sulfinamide?
(4R)-4-cyclopropyl-4-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-methylbutane-2-sulfinamide has a molecular weight of 257.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyclopropyl-4-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-methylbutane-2-sulfinamide is sourced from PubChem (CID 166506868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).