1-[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]cyclopropan-1-ol

C14H25NO3S — CID 138381986

IUPAC1-[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]cyclopropan-1-ol
SMILESO=S(=O)(CC1CCCC1)N1CCCC(C2(O)CC2)C1
InChIInChI=1S/C14H25NO3S/c16-14(7-8-14)13-6-3-9-15(10-13)19(17,18)11-12-4-1-2-5-12/h12-13,16H,1-11H2
InChIKeyHXARGUJMFSKVFJ-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.74
Rot. Bonds4

About 1-[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]cyclopropan-1-ol

1-[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]cyclopropan-1-ol (PubChem CID 138381986) has the molecular formula C14H25NO3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]cyclopropan-1-ol
PubChem CID138381986
Molecular FormulaC14H25NO3S
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name1-[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]cyclopropan-1-ol
SMILESO=S(=O)(CC1CCCC1)N1CCCC(C2(O)CC2)C1
InChIInChI=1S/C14H25NO3S/c16-14(7-8-14)13-6-3-9-15(10-13)19(17,18)11-12-4-1-2-5-12/h12-13,16H,1-11H2
InChIKeyHXARGUJMFSKVFJ-UHFFFAOYSA-N
XLogP1.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-1-ylsulfonyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81103999
1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041332
1-(cyclopropylmethylsulfonyl)piperidin-3-ol
CID 64987994
[1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol
CID 128512728
(3R)-1-(cyclopropylmethylsulfonyl)piperidin-3-amine
CID 102977569
1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride
CID 120715396
1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride
CID 119998731
2-[[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]methylamino]acetic acid;hydrochloride
CID 120727075
1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine
CID 63853138
2-piperazin-1-ylsulfonyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115445
1-(cyclopropylmethylsulfonyl)piperidine-3-carbonitrile
CID 64987766
1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122068595

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]cyclopropan-1-ol?
The IUPAC name of 1-[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]cyclopropan-1-ol (CID 138381986) is 1-[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]cyclopropan-1-ol is O=S(=O)(CC1CCCC1)N1CCCC(C2(O)CC2)C1.
What is the InChIKey of 1-[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]cyclopropan-1-ol?
The InChIKey is HXARGUJMFSKVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c16-14(7-8-14)13-6-3-9-15(10-13)19(17,18)11-12-4-1-2-5-12/h12-13,16H,1-11H2.
What are the key properties of 1-[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]cyclopropan-1-ol?
1-[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]cyclopropan-1-ol has a molecular weight of 287.43 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]cyclopropan-1-ol is sourced from PubChem (CID 138381986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).