1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol

C13H21NOS — CID 115638973

IUPAC1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol
SMILESCSCC(C)NCC(C)(O)c1ccccc1
InChIInChI=1S/C13H21NOS/c1-11(9-16-3)14-10-13(2,15)12-7-5-4-6-8-12/h4-8,11,14-15H,9-10H2,1-3H3
InChIKeyPTEBAAKJOPBFGX-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.24
Rot. Bonds6

About 1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol

1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol (PubChem CID 115638973) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol
PubChem CID115638973
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol
SMILESCSCC(C)NCC(C)(O)c1ccccc1
InChIInChI=1S/C13H21NOS/c1-11(9-16-3)14-10-13(2,15)12-7-5-4-6-8-12/h4-8,11,14-15H,9-10H2,1-3H3
InChIKeyPTEBAAKJOPBFGX-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(hexan-2-ylamino)-2-phenylpropan-2-ol
CID 62374352
2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63868258
1-(octan-2-ylamino)-2-phenylpropan-2-ol
CID 62373527
2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 62374500
(2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol
CID 103912755
2-phenyl-1-(1-phenylpropylamino)propan-2-ol
CID 62374681
1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol
CID 62374837
(2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide
CID 95769505
1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81379444
methyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate
CID 62375494
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81389941
1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol
CID 81393030

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol?
The IUPAC name of 1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol (CID 115638973) is 1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol is CSCC(C)NCC(C)(O)c1ccccc1.
What is the InChIKey of 1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol?
The InChIKey is PTEBAAKJOPBFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-11(9-16-3)14-10-13(2,15)12-7-5-4-6-8-12/h4-8,11,14-15H,9-10H2,1-3H3.
What are the key properties of 1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol?
1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol has a molecular weight of 239.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol is sourced from PubChem (CID 115638973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).