(3S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-3-ol

C8H15NO3S — CID 79030817

IUPAC(3S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(CC1CC1)N1CC[C@H](O)C1
InChIInChI=1S/C8H15NO3S/c10-8-3-4-9(5-8)13(11,12)6-7-1-2-7/h7-8,10H,1-6H2/t8-/m0/s1
InChIKeyWRXIUAMDPKFEDS-QMMMGPOBSA-N
MW205.28 g/mol
LogP-0.21
Rot. Bonds3

About (3S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-3-ol

(3S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-3-ol (PubChem CID 79030817) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is (3S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-3-ol
PubChem CID79030817
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name(3S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(CC1CC1)N1CC[C@H](O)C1
InChIInChI=1S/C8H15NO3S/c10-8-3-4-9(5-8)13(11,12)6-7-1-2-7/h7-8,10H,1-6H2/t8-/m0/s1
InChIKeyWRXIUAMDPKFEDS-QMMMGPOBSA-N
XLogP-0.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-3-ol (CID 79030817) is (3S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-3-ol is O=S(=O)(CC1CC1)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-3-ol?
The InChIKey is WRXIUAMDPKFEDS-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO3S/c10-8-3-4-9(5-8)13(11,12)6-7-1-2-7/h7-8,10H,1-6H2/t8-/m0/s1.
What are the key properties of (3S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-3-ol?
(3S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-3-ol has a molecular weight of 205.28 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 79030817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).