2-methylsulfanyl-3-[(2-methylsulfonylcyclopentyl)amino]butan-1-ol

C11H23NO3S2 — CID 103914098

IUPAC2-methylsulfanyl-3-[(2-methylsulfonylcyclopentyl)amino]butan-1-ol
SMILESCSC(CO)C(C)NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C11H23NO3S2/c1-8(10(7-13)16-2)12-9-5-4-6-11(9)17(3,14)15/h8-13H,4-7H2,1-3H3
InChIKeyCCTVTMRXNVCREA-UHFFFAOYSA-N
MW281.44 g/mol
LogP0.65
Rot. Bonds6

About 2-methylsulfanyl-3-[(2-methylsulfonylcyclopentyl)amino]butan-1-ol

2-methylsulfanyl-3-[(2-methylsulfonylcyclopentyl)amino]butan-1-ol (PubChem CID 103914098) has the molecular formula C11H23NO3S2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-methylsulfanyl-3-[(2-methylsulfonylcyclopentyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-methylsulfanyl-3-[(2-methylsulfonylcyclopentyl)amino]butan-1-ol
PubChem CID103914098
Molecular FormulaC11H23NO3S2
Molecular Weight281.44 g/mol
Exact Mass281.11
IUPAC Name2-methylsulfanyl-3-[(2-methylsulfonylcyclopentyl)amino]butan-1-ol
SMILESCSC(CO)C(C)NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C11H23NO3S2/c1-8(10(7-13)16-2)12-9-5-4-6-11(9)17(3,14)15/h8-13H,4-7H2,1-3H3
InChIKeyCCTVTMRXNVCREA-UHFFFAOYSA-N
XLogP0.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[(1R,2R)-2-methylsulfonylcyclopentyl]amino]propan-1-ol
CID 124596706
(2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol
CID 114987227
N-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 65046156
2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]cycloheptan-1-ol
CID 106160712
3-[(2-ethylcyclohexyl)amino]-2-methylsulfanylbutan-1-ol
CID 115997463
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropanesulfonamide
CID 103861132
2-methylsulfonyl-N-pent-4-en-2-ylcyclopentan-1-amine
CID 115901322
(2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol
CID 103913967
N-(1-ethoxypropan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 65046268
N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine
CID 115405922
cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 94586193
4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol
CID 75515768

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-[(2-methylsulfonylcyclopentyl)amino]butan-1-ol?
The IUPAC name of 2-methylsulfanyl-3-[(2-methylsulfonylcyclopentyl)amino]butan-1-ol (CID 103914098) is 2-methylsulfanyl-3-[(2-methylsulfonylcyclopentyl)amino]butan-1-ol.
What is the SMILES notation for 2-methylsulfanyl-3-[(2-methylsulfonylcyclopentyl)amino]butan-1-ol?
The canonical SMILES for 2-methylsulfanyl-3-[(2-methylsulfonylcyclopentyl)amino]butan-1-ol is CSC(CO)C(C)NC1CCCC1S(C)(=O)=O.
What is the InChIKey of 2-methylsulfanyl-3-[(2-methylsulfonylcyclopentyl)amino]butan-1-ol?
The InChIKey is CCTVTMRXNVCREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S2/c1-8(10(7-13)16-2)12-9-5-4-6-11(9)17(3,14)15/h8-13H,4-7H2,1-3H3.
What are the key properties of 2-methylsulfanyl-3-[(2-methylsulfonylcyclopentyl)amino]butan-1-ol?
2-methylsulfanyl-3-[(2-methylsulfonylcyclopentyl)amino]butan-1-ol has a molecular weight of 281.44 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-[(2-methylsulfonylcyclopentyl)amino]butan-1-ol is sourced from PubChem (CID 103914098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).