1-(1-butylsulfonylpiperidin-2-yl)propan-1-ol

C12H25NO3S — CID 111439996

IUPAC1-(1-butylsulfonylpiperidin-2-yl)propan-1-ol
SMILESCCCCS(=O)(=O)N1CCCCC1C(O)CC
InChIInChI=1S/C12H25NO3S/c1-3-5-10-17(15,16)13-9-7-6-8-11(13)12(14)4-2/h11-12,14H,3-10H2,1-2H3
InChIKeyPDBOPOITHOMROT-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.74
Rot. Bonds6

About 1-(1-butylsulfonylpiperidin-2-yl)propan-1-ol

1-(1-butylsulfonylpiperidin-2-yl)propan-1-ol (PubChem CID 111439996) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-(1-butylsulfonylpiperidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1-butylsulfonylpiperidin-2-yl)propan-1-ol
PubChem CID111439996
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name1-(1-butylsulfonylpiperidin-2-yl)propan-1-ol
SMILESCCCCS(=O)(=O)N1CCCCC1C(O)CC
InChIInChI=1S/C12H25NO3S/c1-3-5-10-17(15,16)13-9-7-6-8-11(13)12(14)4-2/h11-12,14H,3-10H2,1-2H3
InChIKeyPDBOPOITHOMROT-UHFFFAOYSA-N
XLogP1.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butylsulfonylpiperidin-2-yl)-N-ethylethanamine
CID 63854552
2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol
CID 79545152
2-(1-butylsulfonylpiperidin-2-yl)ethanamine
CID 63767348
2-(1-butylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol
CID 79543937
(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448
(2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide
CID 110285824
butyl 2-[2-(1-hydroxypropyl)piperidin-1-yl]acetate
CID 111462660
(2R)-2-[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119370214
1-butylsulfonyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119500648
1-nonylsulfonyl-2-undecylpyrrolidine
CID 59852635
1-butylsulfonylpiperidine-4-carbothioamide
CID 39364305
1-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]-N-ethylethanamine
CID 55256858

Frequently Asked Questions

What is the IUPAC name of 1-(1-butylsulfonylpiperidin-2-yl)propan-1-ol?
The IUPAC name of 1-(1-butylsulfonylpiperidin-2-yl)propan-1-ol (CID 111439996) is 1-(1-butylsulfonylpiperidin-2-yl)propan-1-ol.
What is the SMILES notation for 1-(1-butylsulfonylpiperidin-2-yl)propan-1-ol?
The canonical SMILES for 1-(1-butylsulfonylpiperidin-2-yl)propan-1-ol is CCCCS(=O)(=O)N1CCCCC1C(O)CC.
What is the InChIKey of 1-(1-butylsulfonylpiperidin-2-yl)propan-1-ol?
The InChIKey is PDBOPOITHOMROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-3-5-10-17(15,16)13-9-7-6-8-11(13)12(14)4-2/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-(1-butylsulfonylpiperidin-2-yl)propan-1-ol?
1-(1-butylsulfonylpiperidin-2-yl)propan-1-ol has a molecular weight of 263.40 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylsulfonylpiperidin-2-yl)propan-1-ol is sourced from PubChem (CID 111439996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).