trans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol

C10H21NO2S — CID 102731693

IUPACtrans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol
SMILESCC(CN[C@H]1CCCC[C@@H]1O)S(C)=O
InChIInChI=1S/C10H21NO2S/c1-8(14(2)13)7-11-9-5-3-4-6-10(9)12/h8-12H,3-7H2,1-2H3/t8?,9-,10-,14?/m0/s1
InChIKeyDHUQDVQCWBPFAS-USQDWFKJSA-N
MW219.35 g/mol
LogP0.65
Rot. Bonds4

About trans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol

trans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol (PubChem CID 102731693) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol
PubChem CID102731693
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Nametrans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol
SMILESCC(CN[C@H]1CCCC[C@@H]1O)S(C)=O
InChIInChI=1S/C10H21NO2S/c1-8(14(2)13)7-11-9-5-3-4-6-10(9)12/h8-12H,3-7H2,1-2H3/t8?,9-,10-,14?/m0/s1
InChIKeyDHUQDVQCWBPFAS-USQDWFKJSA-N
XLogP0.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol
CID 102731666
trans-(1R,2R)-2-(2-pyrrolidin-1-ylpropylamino)cyclohexan-1-ol
CID 102731517
trans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol
CID 102905272
trans-(1S,2S)-2-(2-cyclopropylpropylamino)cyclopentan-1-ol
CID 102734076
2-(2,2-dimethoxyethylamino)cyclohexan-1-ol
CID 63696910
trans-(1S,2S)-2-(2-methylsulfanylpropylamino)cyclopentan-1-ol
CID 102734063
trans-(1R,2R)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol
CID 102731241
2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol
CID 63298849
2-amino-3-[(2-hydroxycyclohexyl)amino]propanoic acid
CID 103249845
trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol
CID 106131373
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]cyclohexan-1-ol
CID 55141526
cis-(1R,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660465

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol (CID 102731693) is trans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol is CC(CN[C@H]1CCCC[C@@H]1O)S(C)=O.
What is the InChIKey of trans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol?
The InChIKey is DHUQDVQCWBPFAS-USQDWFKJSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(14(2)13)7-11-9-5-3-4-6-10(9)12/h8-12H,3-7H2,1-2H3/t8?,9-,10-,14?/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol?
trans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol has a molecular weight of 219.35 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol is sourced from PubChem (CID 102731693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).