(S)-2,4,6-trimethyl-N-[(3R)-spiro[4.5]decan-3-yl]benzenesulfinamide

C19H29NOS — CID 139183480

IUPAC(S)-2,4,6-trimethyl-N-[(3R)-spiro[4.5]decan-3-yl]benzenesulfinamide
SMILESCc1cc(C)c([S@](=O)N[C@@H]2CCC3(CCCCC3)C2)c(C)c1
InChIInChI=1S/C19H29NOS/c1-14-11-15(2)18(16(3)12-14)22(21)20-17-7-10-19(13-17)8-5-4-6-9-19/h11-12,17,20H,4-10,13H2,1-3H3/t17-,22+/m1/s1
InChIKeyYIGCRSFBKLGRRD-VGSWGCGISA-N
MW319.51 g/mol
LogP4.73
Rot. Bonds3

About (S)-2,4,6-trimethyl-N-[(3R)-spiro[4.5]decan-3-yl]benzenesulfinamide

(S)-2,4,6-trimethyl-N-[(3R)-spiro[4.5]decan-3-yl]benzenesulfinamide (PubChem CID 139183480) has the molecular formula C19H29NOS and a molecular weight of 319.51 g/mol. Its IUPAC name is (S)-2,4,6-trimethyl-N-[(3R)-spiro[4.5]decan-3-yl]benzenesulfinamide.

Molecular Properties

Compound Name(S)-2,4,6-trimethyl-N-[(3R)-spiro[4.5]decan-3-yl]benzenesulfinamide
PubChem CID139183480
Molecular FormulaC19H29NOS
Molecular Weight319.51 g/mol
Exact Mass319.20
IUPAC Name(S)-2,4,6-trimethyl-N-[(3R)-spiro[4.5]decan-3-yl]benzenesulfinamide
SMILESCc1cc(C)c([S@](=O)N[C@@H]2CCC3(CCCCC3)C2)c(C)c1
InChIInChI=1S/C19H29NOS/c1-14-11-15(2)18(16(3)12-14)22(21)20-17-7-10-19(13-17)8-5-4-6-9-19/h11-12,17,20H,4-10,13H2,1-3H3/t17-,22+/m1/s1
InChIKeyYIGCRSFBKLGRRD-VGSWGCGISA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (S)-2,4,6-trimethyl-N-[(3R)-spiro[4.5]decan-3-yl]benzenesulfinamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (S)-2,4,6-trimethyl-N-[(3R)-spiro[4.5]decan-3-yl]benzenesulfinamide?
The IUPAC name of (S)-2,4,6-trimethyl-N-[(3R)-spiro[4.5]decan-3-yl]benzenesulfinamide (CID 139183480) is (S)-2,4,6-trimethyl-N-[(3R)-spiro[4.5]decan-3-yl]benzenesulfinamide.
What is the SMILES notation for (S)-2,4,6-trimethyl-N-[(3R)-spiro[4.5]decan-3-yl]benzenesulfinamide?
The canonical SMILES for (S)-2,4,6-trimethyl-N-[(3R)-spiro[4.5]decan-3-yl]benzenesulfinamide is Cc1cc(C)c([S@](=O)N[C@@H]2CCC3(CCCCC3)C2)c(C)c1.
What is the InChIKey of (S)-2,4,6-trimethyl-N-[(3R)-spiro[4.5]decan-3-yl]benzenesulfinamide?
The InChIKey is YIGCRSFBKLGRRD-VGSWGCGISA-N. The full InChI is InChI=1S/C19H29NOS/c1-14-11-15(2)18(16(3)12-14)22(21)20-17-7-10-19(13-17)8-5-4-6-9-19/h11-12,17,20H,4-10,13H2,1-3H3/t17-,22+/m1/s1.
What are the key properties of (S)-2,4,6-trimethyl-N-[(3R)-spiro[4.5]decan-3-yl]benzenesulfinamide?
(S)-2,4,6-trimethyl-N-[(3R)-spiro[4.5]decan-3-yl]benzenesulfinamide has a molecular weight of 319.51 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2,4,6-trimethyl-N-[(3R)-spiro[4.5]decan-3-yl]benzenesulfinamide is sourced from PubChem (CID 139183480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).