9-[3-[cyclohexylmethyl(sulfinato)amino]-2-hydroxypropyl]carbazole

C22H27N2O3S- — CID 146676272

IUPAC9-[3-[cyclohexylmethyl(sulfinato)amino]-2-hydroxypropyl]carbazole
SMILESO=S([O-])N(CC(O)Cn1c2ccccc2c2ccccc21)CC1CCCCC1
InChIInChI=1S/C22H28N2O3S/c25-18(15-23(28(26)27)14-17-8-2-1-3-9-17)16-24-21-12-6-4-10-19(21)20-11-5-7-13-22(20)24/h4-7,10-13,17-18,25H,1-3,8-9,14-16H2,(H,26,27)/p-1
InChIKeyGHEMCWFMCQRQSL-UHFFFAOYSA-M
MW399.54 g/mol
LogP3.83
Rot. Bonds7

About 9-[3-[cyclohexylmethyl(sulfinato)amino]-2-hydroxypropyl]carbazole

9-[3-[cyclohexylmethyl(sulfinato)amino]-2-hydroxypropyl]carbazole (PubChem CID 146676272) has the molecular formula C22H27N2O3S- and a molecular weight of 399.54 g/mol. Its IUPAC name is 9-[3-[cyclohexylmethyl(sulfinato)amino]-2-hydroxypropyl]carbazole.

Molecular Properties

Compound Name9-[3-[cyclohexylmethyl(sulfinato)amino]-2-hydroxypropyl]carbazole
PubChem CID146676272
Molecular FormulaC22H27N2O3S-
Molecular Weight399.54 g/mol
Exact Mass399.17
IUPAC Name9-[3-[cyclohexylmethyl(sulfinato)amino]-2-hydroxypropyl]carbazole
SMILESO=S([O-])N(CC(O)Cn1c2ccccc2c2ccccc21)CC1CCCCC1
InChIInChI=1S/C22H28N2O3S/c25-18(15-23(28(26)27)14-17-8-2-1-3-9-17)16-24-21-12-6-4-10-19(21)20-11-5-7-13-22(20)24/h4-7,10-13,17-18,25H,1-3,8-9,14-16H2,(H,26,27)/p-1
InChIKeyGHEMCWFMCQRQSL-UHFFFAOYSA-M
XLogP3.83
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[cyclohexylmethyl(sulfinato)amino]-2-hydroxypropyl]carbazole?
The IUPAC name of 9-[3-[cyclohexylmethyl(sulfinato)amino]-2-hydroxypropyl]carbazole (CID 146676272) is 9-[3-[cyclohexylmethyl(sulfinato)amino]-2-hydroxypropyl]carbazole.
What is the SMILES notation for 9-[3-[cyclohexylmethyl(sulfinato)amino]-2-hydroxypropyl]carbazole?
The canonical SMILES for 9-[3-[cyclohexylmethyl(sulfinato)amino]-2-hydroxypropyl]carbazole is O=S([O-])N(CC(O)Cn1c2ccccc2c2ccccc21)CC1CCCCC1.
What is the InChIKey of 9-[3-[cyclohexylmethyl(sulfinato)amino]-2-hydroxypropyl]carbazole?
The InChIKey is GHEMCWFMCQRQSL-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H28N2O3S/c25-18(15-23(28(26)27)14-17-8-2-1-3-9-17)16-24-21-12-6-4-10-19(21)20-11-5-7-13-22(20)24/h4-7,10-13,17-18,25H,1-3,8-9,14-16H2,(H,26,27)/p-1.
What are the key properties of 9-[3-[cyclohexylmethyl(sulfinato)amino]-2-hydroxypropyl]carbazole?
9-[3-[cyclohexylmethyl(sulfinato)amino]-2-hydroxypropyl]carbazole has a molecular weight of 399.54 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[cyclohexylmethyl(sulfinato)amino]-2-hydroxypropyl]carbazole is sourced from PubChem (CID 146676272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).