N-(1-hydroxybutan-2-yl)pyrrolidine-1-sulfonamide

C8H18N2O3S — CID 43501765

IUPACN-(1-hydroxybutan-2-yl)pyrrolidine-1-sulfonamide
SMILESCCC(CO)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H18N2O3S/c1-2-8(7-11)9-14(12,13)10-5-3-4-6-10/h8-9,11H,2-7H2,1H3
InChIKeyJFSQJKAJYMKRRT-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.31
Rot. Bonds5

About N-(1-hydroxybutan-2-yl)pyrrolidine-1-sulfonamide

N-(1-hydroxybutan-2-yl)pyrrolidine-1-sulfonamide (PubChem CID 43501765) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)pyrrolidine-1-sulfonamide
PubChem CID43501765
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-(1-hydroxybutan-2-yl)pyrrolidine-1-sulfonamide
SMILESCCC(CO)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H18N2O3S/c1-2-8(7-11)9-14(12,13)10-5-3-4-6-10/h8-9,11H,2-7H2,1H3
InChIKeyJFSQJKAJYMKRRT-UHFFFAOYSA-N
XLogP-0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)pyrrolidine-1-sulfonamide (CID 43501765) is N-(1-hydroxybutan-2-yl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)pyrrolidine-1-sulfonamide is CCC(CO)NS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)pyrrolidine-1-sulfonamide?
The InChIKey is JFSQJKAJYMKRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-2-8(7-11)9-14(12,13)10-5-3-4-6-10/h8-9,11H,2-7H2,1H3.
What are the key properties of N-(1-hydroxybutan-2-yl)pyrrolidine-1-sulfonamide?
N-(1-hydroxybutan-2-yl)pyrrolidine-1-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 43501765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).