3-[1-[2-(propan-2-ylamino)ethylsulfonyl]pyrrolidin-2-yl]propan-1-ol

C12H26N2O3S — CID 62480106

IUPAC3-[1-[2-(propan-2-ylamino)ethylsulfonyl]pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)NCCS(=O)(=O)N1CCCC1CCCO
InChIInChI=1S/C12H26N2O3S/c1-11(2)13-7-10-18(16,17)14-8-3-5-12(14)6-4-9-15/h11-13,15H,3-10H2,1-2H3
InChIKeyDDHJDCPLQMYZEP-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.55
Rot. Bonds8

About 3-[1-[2-(propan-2-ylamino)ethylsulfonyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[2-(propan-2-ylamino)ethylsulfonyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62480106) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-[1-[2-(propan-2-ylamino)ethylsulfonyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-(propan-2-ylamino)ethylsulfonyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62480106
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name3-[1-[2-(propan-2-ylamino)ethylsulfonyl]pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)NCCS(=O)(=O)N1CCCC1CCCO
InChIInChI=1S/C12H26N2O3S/c1-11(2)13-7-10-18(16,17)14-8-3-5-12(14)6-4-9-15/h11-13,15H,3-10H2,1-2H3
InChIKeyDDHJDCPLQMYZEP-UHFFFAOYSA-N
XLogP0.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(propan-2-ylamino)ethylsulfonyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-(propan-2-ylamino)ethylsulfonyl]pyrrolidin-2-yl]propan-1-ol (CID 62480106) is 3-[1-[2-(propan-2-ylamino)ethylsulfonyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-(propan-2-ylamino)ethylsulfonyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-(propan-2-ylamino)ethylsulfonyl]pyrrolidin-2-yl]propan-1-ol is CC(C)NCCS(=O)(=O)N1CCCC1CCCO.
What is the InChIKey of 3-[1-[2-(propan-2-ylamino)ethylsulfonyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is DDHJDCPLQMYZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-11(2)13-7-10-18(16,17)14-8-3-5-12(14)6-4-9-15/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 3-[1-[2-(propan-2-ylamino)ethylsulfonyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[2-(propan-2-ylamino)ethylsulfonyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 278.42 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(propan-2-ylamino)ethylsulfonyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62480106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).