3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol

C14H30N2O3S — CID 79610035

IUPAC3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
SMILESCCC(C)(C(O)CC1CCCN(S(C)(=O)=O)C1)N(C)C
InChIInChI=1S/C14H30N2O3S/c1-6-14(2,15(3)4)13(17)10-12-8-7-9-16(11-12)20(5,18)19/h12-13,17H,6-11H2,1-5H3
InChIKeyWRWZQJLFSDBGNC-UHFFFAOYSA-N
MW306.47 g/mol
LogP1.14
Rot. Bonds6

About 3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol

3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol (PubChem CID 79610035) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is 3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol.

Molecular Properties

Compound Name3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
PubChem CID79610035
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC Name3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
SMILESCCC(C)(C(O)CC1CCCN(S(C)(=O)=O)C1)N(C)C
InChIInChI=1S/C14H30N2O3S/c1-6-14(2,15(3)4)13(17)10-12-8-7-9-16(11-12)20(5,18)19/h12-13,17H,6-11H2,1-5H3
InChIKeyWRWZQJLFSDBGNC-UHFFFAOYSA-N
XLogP1.14
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 116752854
3-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-pyrrolidin-1-ylbutan-2-ol
CID 79610034
3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 79610749
ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79611825
1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol
CID 115820309
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122
3-N,3-N-diethyl-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butane-2,3-diamine
CID 79619573
4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol
CID 79622724
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine
CID 79621958
1-[ethyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]-2-methylpropan-2-ol
CID 115278735
3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine
CID 103746760

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol?
The IUPAC name of 3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol (CID 79610035) is 3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol.
What is the SMILES notation for 3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol?
The canonical SMILES for 3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol is CCC(C)(C(O)CC1CCCN(S(C)(=O)=O)C1)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol?
The InChIKey is WRWZQJLFSDBGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-6-14(2,15(3)4)13(17)10-12-8-7-9-16(11-12)20(5,18)19/h12-13,17H,6-11H2,1-5H3.
What are the key properties of 3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol?
3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol has a molecular weight of 306.47 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol is sourced from PubChem (CID 79610035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).