[(2S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-2-yl]methanol

C9H17NO3S — CID 66260976

IUPAC[(2S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-2-yl]methanol
SMILESO=S(=O)(CC1CC1)N1CCC[C@H]1CO
InChIInChI=1S/C9H17NO3S/c11-6-9-2-1-5-10(9)14(12,13)7-8-3-4-8/h8-9,11H,1-7H2/t9-/m0/s1
InChIKeyNDZYDWDRUOIIIS-VIFPVBQESA-N
MW219.31 g/mol
LogP0.18
Rot. Bonds4

About [(2S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-2-yl]methanol

[(2S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-2-yl]methanol (PubChem CID 66260976) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is [(2S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-2-yl]methanol
PubChem CID66260976
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name[(2S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-2-yl]methanol
SMILESO=S(=O)(CC1CC1)N1CCC[C@H]1CO
InChIInChI=1S/C9H17NO3S/c11-6-9-2-1-5-10(9)14(12,13)7-8-3-4-8/h8-9,11H,1-7H2/t9-/m0/s1
InChIKeyNDZYDWDRUOIIIS-VIFPVBQESA-N
XLogP0.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 [(2S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-2-yl]methanol (CID 66260976) is [(2S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-2-yl]methanol is O=S(=O)(CC1CC1)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-2-yl]methanol?
The InChIKey is NDZYDWDRUOIIIS-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO3S/c11-6-9-2-1-5-10(9)14(12,13)7-8-3-4-8/h8-9,11H,1-7H2/t9-/m0/s1.
What are the key properties of [(2S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-2-yl]methanol has a molecular weight of 219.31 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopropylmethylsulfonyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 66260976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).