(S)-N-[1-[(2R)-1,1-dioxothietan-2-yl]cyclohexyl]-2-methylpropane-2-sulfinamide

C13H25NO3S2 — CID 46204795

IUPAC(S)-N-[1-[(2R)-1,1-dioxothietan-2-yl]cyclohexyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)NC1([C@H]2CCS2(=O)=O)CCCCC1
InChIInChI=1S/C13H25NO3S2/c1-12(2,3)18(15)14-13(8-5-4-6-9-13)11-7-10-19(11,16)17/h11,14H,4-10H2,1-3H3/t11-,18+/m1/s1
InChIKeyRGGQFLSXAJTKPT-ZMZPIMSZSA-N
MW307.48 g/mol
LogP1.93
Rot. Bonds3

About (S)-N-[1-[(2R)-1,1-dioxothietan-2-yl]cyclohexyl]-2-methylpropane-2-sulfinamide

(S)-N-[1-[(2R)-1,1-dioxothietan-2-yl]cyclohexyl]-2-methylpropane-2-sulfinamide (PubChem CID 46204795) has the molecular formula C13H25NO3S2 and a molecular weight of 307.48 g/mol. Its IUPAC name is (S)-N-[1-[(2R)-1,1-dioxothietan-2-yl]cyclohexyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[1-[(2R)-1,1-dioxothietan-2-yl]cyclohexyl]-2-methylpropane-2-sulfinamide
PubChem CID46204795
Molecular FormulaC13H25NO3S2
Molecular Weight307.48 g/mol
Exact Mass307.13
IUPAC Name(S)-N-[1-[(2R)-1,1-dioxothietan-2-yl]cyclohexyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)NC1([C@H]2CCS2(=O)=O)CCCCC1
InChIInChI=1S/C13H25NO3S2/c1-12(2,3)18(15)14-13(8-5-4-6-9-13)11-7-10-19(11,16)17/h11,14H,4-10H2,1-3H3/t11-,18+/m1/s1
InChIKeyRGGQFLSXAJTKPT-ZMZPIMSZSA-N
XLogP1.93
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-N-[1-[(2R)-1,1-dioxothietan-2-yl]cyclohexyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[1-[(2R)-1,1-dioxothietan-2-yl]cyclohexyl]-2-methylpropane-2-sulfinamide (CID 46204795) is (S)-N-[1-[(2R)-1,1-dioxothietan-2-yl]cyclohexyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[1-[(2R)-1,1-dioxothietan-2-yl]cyclohexyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[1-[(2R)-1,1-dioxothietan-2-yl]cyclohexyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)NC1([C@H]2CCS2(=O)=O)CCCCC1.
What is the InChIKey of (S)-N-[1-[(2R)-1,1-dioxothietan-2-yl]cyclohexyl]-2-methylpropane-2-sulfinamide?
The InChIKey is RGGQFLSXAJTKPT-ZMZPIMSZSA-N. The full InChI is InChI=1S/C13H25NO3S2/c1-12(2,3)18(15)14-13(8-5-4-6-9-13)11-7-10-19(11,16)17/h11,14H,4-10H2,1-3H3/t11-,18+/m1/s1.
What are the key properties of (S)-N-[1-[(2R)-1,1-dioxothietan-2-yl]cyclohexyl]-2-methylpropane-2-sulfinamide?
(S)-N-[1-[(2R)-1,1-dioxothietan-2-yl]cyclohexyl]-2-methylpropane-2-sulfinamide has a molecular weight of 307.48 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[1-[(2R)-1,1-dioxothietan-2-yl]cyclohexyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 46204795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).