1-(1-tert-butylcyclopropyl)sulfonyl-3-methylpyrrolidin-3-ol

C12H23NO3S — CID 160885035

IUPAC1-(1-tert-butylcyclopropyl)sulfonyl-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)C2(C(C)(C)C)CC2)C1
InChIInChI=1S/C12H23NO3S/c1-10(2,3)12(5-6-12)17(15,16)13-8-7-11(4,14)9-13/h14H,5-9H2,1-4H3
InChIKeyVLVUYGIVHSSTQY-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.35
Rot. Bonds2

About 1-(1-tert-butylcyclopropyl)sulfonyl-3-methylpyrrolidin-3-ol

1-(1-tert-butylcyclopropyl)sulfonyl-3-methylpyrrolidin-3-ol (PubChem CID 160885035) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(1-tert-butylcyclopropyl)sulfonyl-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1-tert-butylcyclopropyl)sulfonyl-3-methylpyrrolidin-3-ol
PubChem CID160885035
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name1-(1-tert-butylcyclopropyl)sulfonyl-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)C2(C(C)(C)C)CC2)C1
InChIInChI=1S/C12H23NO3S/c1-10(2,3)12(5-6-12)17(15,16)13-8-7-11(4,14)9-13/h14H,5-9H2,1-4H3
InChIKeyVLVUYGIVHSSTQY-UHFFFAOYSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylcyclopropyl)sulfonyl-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(1-tert-butylcyclopropyl)sulfonyl-3-methylpyrrolidin-3-ol (CID 160885035) is 1-(1-tert-butylcyclopropyl)sulfonyl-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(1-tert-butylcyclopropyl)sulfonyl-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(1-tert-butylcyclopropyl)sulfonyl-3-methylpyrrolidin-3-ol is CC1(O)CCN(S(=O)(=O)C2(C(C)(C)C)CC2)C1.
What is the InChIKey of 1-(1-tert-butylcyclopropyl)sulfonyl-3-methylpyrrolidin-3-ol?
The InChIKey is VLVUYGIVHSSTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-10(2,3)12(5-6-12)17(15,16)13-8-7-11(4,14)9-13/h14H,5-9H2,1-4H3.
What are the key properties of 1-(1-tert-butylcyclopropyl)sulfonyl-3-methylpyrrolidin-3-ol?
1-(1-tert-butylcyclopropyl)sulfonyl-3-methylpyrrolidin-3-ol has a molecular weight of 261.39 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylcyclopropyl)sulfonyl-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 160885035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).