1-(cyclopropylmethylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C11H22N2O3S — CID 66052985

IUPAC1-(cyclopropylmethylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)CC1CC1
InChIInChI=1S/C11H22N2O3S/c1-12(2)6-10-5-11(14)7-13(10)17(15,16)8-9-3-4-9/h9-11,14H,3-8H2,1-2H3
InChIKeyQUMMQXWDWPLLRE-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.28
Rot. Bonds5

About 1-(cyclopropylmethylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-(cyclopropylmethylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66052985) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-(cyclopropylmethylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(cyclopropylmethylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66052985
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-(cyclopropylmethylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)CC1CC1
InChIInChI=1S/C11H22N2O3S/c1-12(2)6-10-5-11(14)7-13(10)17(15,16)8-9-3-4-9/h9-11,14H,3-8H2,1-2H3
InChIKeyQUMMQXWDWPLLRE-UHFFFAOYSA-N
XLogP-0.28
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(cyclopropylmethylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66052985) is 1-(cyclopropylmethylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(cyclopropylmethylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(cyclopropylmethylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1S(=O)(=O)CC1CC1.
What is the InChIKey of 1-(cyclopropylmethylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is QUMMQXWDWPLLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-12(2)6-10-5-11(14)7-13(10)17(15,16)8-9-3-4-9/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 1-(cyclopropylmethylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-(cyclopropylmethylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 262.37 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66052985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).