1-[[methyl(2-propan-2-ylsulfonylethyl)amino]methyl]cyclopentan-1-ol

C12H25NO3S — CID 103839087

IUPAC1-[[methyl(2-propan-2-ylsulfonylethyl)amino]methyl]cyclopentan-1-ol
SMILESCC(C)S(=O)(=O)CCN(C)CC1(O)CCCC1
InChIInChI=1S/C12H25NO3S/c1-11(2)17(15,16)9-8-13(3)10-12(14)6-4-5-7-12/h11,14H,4-10H2,1-3H3
InChIKeySWXWEXNYDOFFNI-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.05
Rot. Bonds6

About 1-[[methyl(2-propan-2-ylsulfonylethyl)amino]methyl]cyclopentan-1-ol

1-[[methyl(2-propan-2-ylsulfonylethyl)amino]methyl]cyclopentan-1-ol (PubChem CID 103839087) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-[[methyl(2-propan-2-ylsulfonylethyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[methyl(2-propan-2-ylsulfonylethyl)amino]methyl]cyclopentan-1-ol
PubChem CID103839087
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name1-[[methyl(2-propan-2-ylsulfonylethyl)amino]methyl]cyclopentan-1-ol
SMILESCC(C)S(=O)(=O)CCN(C)CC1(O)CCCC1
InChIInChI=1S/C12H25NO3S/c1-11(2)17(15,16)9-8-13(3)10-12(14)6-4-5-7-12/h11,14H,4-10H2,1-3H3
InChIKeySWXWEXNYDOFFNI-UHFFFAOYSA-N
XLogP1.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-{Methyl[2-(methylsulfonyl)ethyl]amino}ethyl)cyclopentanol
CID 131952317
3-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide
CID 75435990
1-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]-3-propan-2-ylcyclobutan-1-ol
CID 68067903
1-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol
CID 61518781
1-[(2-Ethylsulfonylethylamino)methyl]cyclopentan-1-ol
CID 65108571
1-[(2-Methylsulfonylethylamino)methyl]cyclopentan-1-ol
CID 65108834
1-[(3-Methylsulfonylpropylamino)methyl]cyclopentan-1-ol
CID 65108990
1-[(3-Ethylsulfonylpropylamino)methyl]cyclopentan-1-ol
CID 65111787
1-Methyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol
CID 65146620
3-(3-Ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol
CID 65146779
1-[(2,6-Dimethylthiomorpholin-4-yl)methyl]cyclopentan-1-ol
CID 65212894
4-((1-Hydroxycyclopentyl)methyl)thiomorpholine 1,1-dioxide
CID 65213047

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(2-propan-2-ylsulfonylethyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[methyl(2-propan-2-ylsulfonylethyl)amino]methyl]cyclopentan-1-ol (CID 103839087) is 1-[[methyl(2-propan-2-ylsulfonylethyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[methyl(2-propan-2-ylsulfonylethyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[methyl(2-propan-2-ylsulfonylethyl)amino]methyl]cyclopentan-1-ol is CC(C)S(=O)(=O)CCN(C)CC1(O)CCCC1.
What is the InChIKey of 1-[[methyl(2-propan-2-ylsulfonylethyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is SWXWEXNYDOFFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-11(2)17(15,16)9-8-13(3)10-12(14)6-4-5-7-12/h11,14H,4-10H2,1-3H3.
What are the key properties of 1-[[methyl(2-propan-2-ylsulfonylethyl)amino]methyl]cyclopentan-1-ol?
1-[[methyl(2-propan-2-ylsulfonylethyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 263.40 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(2-propan-2-ylsulfonylethyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103839087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).