4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol

C16H25NOS — CID 116695614

IUPAC4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol
SMILESCNC(CO)(CCSC1CCCC1)c1ccccc1
InChIInChI=1S/C16H25NOS/c1-17-16(13-18,14-7-3-2-4-8-14)11-12-19-15-9-5-6-10-15/h2-4,7-8,15,17-18H,5-6,9-13H2,1H3
InChIKeySFEFQPJHBAVZKM-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.16
Rot. Bonds7

About 4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol

4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol (PubChem CID 116695614) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol
PubChem CID116695614
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol
SMILESCNC(CO)(CCSC1CCCC1)c1ccccc1
InChIInChI=1S/C16H25NOS/c1-17-16(13-18,14-7-3-2-4-8-14)11-12-19-15-9-5-6-10-15/h2-4,7-8,15,17-18H,5-6,9-13H2,1H3
InChIKeySFEFQPJHBAVZKM-UHFFFAOYSA-N
XLogP3.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyloxy-2-(methylamino)-2-phenylbutan-1-ol
CID 116695498
4-ethylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol
CID 116695709
4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide
CID 116694645
2-(methylamino)-4-(3-methylbutylsulfanyl)-2-phenylbutan-1-ol
CID 107764880
4-(2-bromophenyl)sulfanyl-2-(methylamino)-2-phenylbutan-1-ol
CID 116695703
2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol
CID 116695480
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
CID 65322650
4-[cyclopropyl(2-methylpropyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695209
2-(methylamino)-4-(oxan-4-ylsulfanyl)-2-phenylbutanoic acid
CID 116694719
2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol
CID 66371052
3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol
CID 64787052
3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
CID 64827049

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol?
The IUPAC name of 4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol (CID 116695614) is 4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol.
What is the SMILES notation for 4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol?
The canonical SMILES for 4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol is CNC(CO)(CCSC1CCCC1)c1ccccc1.
What is the InChIKey of 4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol?
The InChIKey is SFEFQPJHBAVZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-17-16(13-18,14-7-3-2-4-8-14)11-12-19-15-9-5-6-10-15/h2-4,7-8,15,17-18H,5-6,9-13H2,1H3.
What are the key properties of 4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol?
4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol has a molecular weight of 279.45 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol is sourced from PubChem (CID 116695614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).