trans-(1S,2S)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]cyclopentan-1-ol

C11H23NOS — CID 102734969

IUPACtrans-(1S,2S)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]cyclopentan-1-ol
SMILESCSCCC(C)N(C)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C11H23NOS/c1-9(7-8-14-3)12(2)10-5-4-6-11(10)13/h9-11,13H,4-8H2,1-3H3/t9?,10-,11-/m0/s1
InChIKeyJDZPXGSNSYAQFF-DVRYWGNFSA-N
MW217.38 g/mol
LogP1.97
Rot. Bonds5

About trans-(1S,2S)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]cyclopentan-1-ol

trans-(1S,2S)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]cyclopentan-1-ol (PubChem CID 102734969) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is trans-(1S,2S)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]cyclopentan-1-ol
PubChem CID102734969
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Nametrans-(1S,2S)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]cyclopentan-1-ol
SMILESCSCCC(C)N(C)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C11H23NOS/c1-9(7-8-14-3)12(2)10-5-4-6-11(10)13/h9-11,13H,4-8H2,1-3H3/t9?,10-,11-/m0/s1
InChIKeyJDZPXGSNSYAQFF-DVRYWGNFSA-N
XLogP1.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol
CID 102731911
2-[4-methoxybutan-2-yl(methyl)amino]cyclohexan-1-ol
CID 102636514
trans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol
CID 93346502
3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile
CID 63223531
2-[methyl(3-methylbutan-2-yl)amino]cyclopentan-1-ol
CID 60885120
3-[[(1S,2S)-2-hydroxycyclohexyl]-methylamino]butanenitrile
CID 102732133
3-[[(1R,2R)-2-hydroxycyclohexyl]-methylamino]butanenitrile
CID 104954562
2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 102633310
trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol
CID 102734361
N-butyl-2-[(2-hydroxycyclohexyl)-methylamino]propanamide
CID 102636333
2-[cyclopropylmethyl(methyl)amino]cyclopentan-1-ol
CID 60985143
N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]butanimidamide
CID 102632403

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]cyclopentan-1-ol (CID 102734969) is trans-(1S,2S)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]cyclopentan-1-ol is CSCCC(C)N(C)[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]cyclopentan-1-ol?
The InChIKey is JDZPXGSNSYAQFF-DVRYWGNFSA-N. The full InChI is InChI=1S/C11H23NOS/c1-9(7-8-14-3)12(2)10-5-4-6-11(10)13/h9-11,13H,4-8H2,1-3H3/t9?,10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]cyclopentan-1-ol?
trans-(1S,2S)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]cyclopentan-1-ol has a molecular weight of 217.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 102734969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).