1-pyridin-3-yl-3-(2-pyrrolidin-1-ylsulfonylethyl)urea

C12H18N4O3S — CID 118782533

IUPAC1-pyridin-3-yl-3-(2-pyrrolidin-1-ylsulfonylethyl)urea
SMILESO=C(NCCS(=O)(=O)N1CCCC1)Nc1cccnc1
InChIInChI=1S/C12H18N4O3S/c17-12(15-11-4-3-5-13-10-11)14-6-9-20(18,19)16-7-1-2-8-16/h3-5,10H,1-2,6-9H2,(H2,14,15,17)
InChIKeyRFYDXKUVTTTXMW-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.63
Rot. Bonds5

About 1-pyridin-3-yl-3-(2-pyrrolidin-1-ylsulfonylethyl)urea

1-pyridin-3-yl-3-(2-pyrrolidin-1-ylsulfonylethyl)urea (PubChem CID 118782533) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-pyridin-3-yl-3-(2-pyrrolidin-1-ylsulfonylethyl)urea.

Molecular Properties

Compound Name1-pyridin-3-yl-3-(2-pyrrolidin-1-ylsulfonylethyl)urea
PubChem CID118782533
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name1-pyridin-3-yl-3-(2-pyrrolidin-1-ylsulfonylethyl)urea
SMILESO=C(NCCS(=O)(=O)N1CCCC1)Nc1cccnc1
InChIInChI=1S/C12H18N4O3S/c17-12(15-11-4-3-5-13-10-11)14-6-9-20(18,19)16-7-1-2-8-16/h3-5,10H,1-2,6-9H2,(H2,14,15,17)
InChIKeyRFYDXKUVTTTXMW-UHFFFAOYSA-N
XLogP0.63
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1,3-oxazol-5-yl)phenyl]-3-(2-pyrrolidin-1-ylsulfonylethyl)urea
CID 72913778
1-[2-(azepan-1-ylsulfonyl)ethyl]-3-(4-chlorophenyl)urea
CID 110346031
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643
1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea
CID 18101910
1-[2-(azepan-1-yl)-2-phenylethyl]-3-pyridin-3-ylurea
CID 118775624
1-(cyclopentylmethyl)-3-pyridin-3-ylurea
CID 47166711
3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide
CID 55963186
1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea
CID 66548508
1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea
CID 74231138
phenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate
CID 110346050
1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436667
1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea
CID 18101923

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-3-(2-pyrrolidin-1-ylsulfonylethyl)urea?
The IUPAC name of 1-pyridin-3-yl-3-(2-pyrrolidin-1-ylsulfonylethyl)urea (CID 118782533) is 1-pyridin-3-yl-3-(2-pyrrolidin-1-ylsulfonylethyl)urea.
What is the SMILES notation for 1-pyridin-3-yl-3-(2-pyrrolidin-1-ylsulfonylethyl)urea?
The canonical SMILES for 1-pyridin-3-yl-3-(2-pyrrolidin-1-ylsulfonylethyl)urea is O=C(NCCS(=O)(=O)N1CCCC1)Nc1cccnc1.
What is the InChIKey of 1-pyridin-3-yl-3-(2-pyrrolidin-1-ylsulfonylethyl)urea?
The InChIKey is RFYDXKUVTTTXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c17-12(15-11-4-3-5-13-10-11)14-6-9-20(18,19)16-7-1-2-8-16/h3-5,10H,1-2,6-9H2,(H2,14,15,17).
What are the key properties of 1-pyridin-3-yl-3-(2-pyrrolidin-1-ylsulfonylethyl)urea?
1-pyridin-3-yl-3-(2-pyrrolidin-1-ylsulfonylethyl)urea has a molecular weight of 298.37 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-3-(2-pyrrolidin-1-ylsulfonylethyl)urea is sourced from PubChem (CID 118782533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).