1-(cyclopropylmethylsulfonyl)piperidin-3-ol

C9H17NO3S — CID 64987994

IUPAC1-(cyclopropylmethylsulfonyl)piperidin-3-ol
SMILESO=S(=O)(CC1CC1)N1CCCC(O)C1
InChIInChI=1S/C9H17NO3S/c11-9-2-1-5-10(6-9)14(12,13)7-8-3-4-8/h8-9,11H,1-7H2
InChIKeyPWTVPSATCCNFTD-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.18
Rot. Bonds3

About 1-(cyclopropylmethylsulfonyl)piperidin-3-ol

1-(cyclopropylmethylsulfonyl)piperidin-3-ol (PubChem CID 64987994) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-(cyclopropylmethylsulfonyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(cyclopropylmethylsulfonyl)piperidin-3-ol
PubChem CID64987994
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name1-(cyclopropylmethylsulfonyl)piperidin-3-ol
SMILESO=S(=O)(CC1CC1)N1CCCC(O)C1
InChIInChI=1S/C9H17NO3S/c11-9-2-1-5-10(6-9)14(12,13)7-8-3-4-8/h8-9,11H,1-7H2
InChIKeyPWTVPSATCCNFTD-UHFFFAOYSA-N
XLogP0.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylsulfonyl)piperidin-3-ol?
The IUPAC name of 1-(cyclopropylmethylsulfonyl)piperidin-3-ol (CID 64987994) is 1-(cyclopropylmethylsulfonyl)piperidin-3-ol.
What is the SMILES notation for 1-(cyclopropylmethylsulfonyl)piperidin-3-ol?
The canonical SMILES for 1-(cyclopropylmethylsulfonyl)piperidin-3-ol is O=S(=O)(CC1CC1)N1CCCC(O)C1.
What is the InChIKey of 1-(cyclopropylmethylsulfonyl)piperidin-3-ol?
The InChIKey is PWTVPSATCCNFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c11-9-2-1-5-10(6-9)14(12,13)7-8-3-4-8/h8-9,11H,1-7H2.
What are the key properties of 1-(cyclopropylmethylsulfonyl)piperidin-3-ol?
1-(cyclopropylmethylsulfonyl)piperidin-3-ol has a molecular weight of 219.31 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylsulfonyl)piperidin-3-ol is sourced from PubChem (CID 64987994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).