2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol

C14H28N2O3S — CID 102636407

IUPAC2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol
SMILESCN(CC1CCCN(S(C)(=O)=O)C1)C1CCCCC1O
InChIInChI=1S/C14H28N2O3S/c1-15(13-7-3-4-8-14(13)17)10-12-6-5-9-16(11-12)20(2,18)19/h12-14,17H,3-11H2,1-2H3
InChIKeyJRBSEJZGKNSIAY-UHFFFAOYSA-N
MW304.46 g/mol
LogP0.89
Rot. Bonds4

About 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol

2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol (PubChem CID 102636407) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol
PubChem CID102636407
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol
SMILESCN(CC1CCCN(S(C)(=O)=O)C1)C1CCCCC1O
InChIInChI=1S/C14H28N2O3S/c1-15(13-7-3-4-8-14(13)17)10-12-6-5-9-16(11-12)20(2,18)19/h12-14,17H,3-11H2,1-2H3
InChIKeyJRBSEJZGKNSIAY-UHFFFAOYSA-N
XLogP0.89
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol
CID 84595718
methyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate
CID 79623241
2-[2-(dimethylamino)ethyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetic acid
CID 107425042
4-chloro-2-N-methyl-2-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzene-1,2-diamine
CID 107466123
2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanethioamide
CID 79612367
3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanenitrile
CID 113249300
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
1-[ethyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]-2-methylpropan-2-ol
CID 115278735
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 79610971
(3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
CID 113249309
3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 79610035

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol (CID 102636407) is 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol is CN(CC1CCCN(S(C)(=O)=O)C1)C1CCCCC1O.
What is the InChIKey of 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol?
The InChIKey is JRBSEJZGKNSIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-15(13-7-3-4-8-14(13)17)10-12-6-5-9-16(11-12)20(2,18)19/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol?
2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol has a molecular weight of 304.46 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 102636407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).