1-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(2,3-dihydro-1H-inden-1-ylmethyl)urea

C19H27N3O3S — CID 126776766

IUPAC1-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(2,3-dihydro-1H-inden-1-ylmethyl)urea
SMILESO=C(NCC1CCc2ccccc21)NC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C19H27N3O3S/c23-19(20-13-15-6-5-14-3-1-2-4-18(14)15)21-16-9-11-22(12-10-16)26(24,25)17-7-8-17/h1-4,15-17H,5-13H2,(H2,20,21,23)
InChIKeyKLUFUBVRFJBALG-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.97
Rot. Bonds5

About 1-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(2,3-dihydro-1H-inden-1-ylmethyl)urea

1-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(2,3-dihydro-1H-inden-1-ylmethyl)urea (PubChem CID 126776766) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 1-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(2,3-dihydro-1H-inden-1-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(2,3-dihydro-1H-inden-1-ylmethyl)urea
PubChem CID126776766
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name1-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(2,3-dihydro-1H-inden-1-ylmethyl)urea
SMILESO=C(NCC1CCc2ccccc21)NC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C19H27N3O3S/c23-19(20-13-15-6-5-14-3-1-2-4-18(14)15)21-16-9-11-22(12-10-16)26(24,25)17-7-8-17/h1-4,15-17H,5-13H2,(H2,20,21,23)
InChIKeyKLUFUBVRFJBALG-UHFFFAOYSA-N
XLogP1.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 74238551
1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]urea
CID 97227635
2-(cyclopropylmethylamino)-N-(2,3-dihydro-1H-inden-1-ylmethyl)acetamide;hydrochloride
CID 119783179
N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 99955335
3-(2,3-dihydro-1H-inden-1-ylmethylamino)-2-methyl-3-oxopropanoic acid
CID 122065562
1-[(2-methyl-3-pyridinyl)methyl]-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]urea
CID 132972772
1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 32525222
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide
CID 50984766
1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
CID 97048590
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 98348274
2-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-2-methylpentanamide;hydrochloride
CID 119783207
3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide
CID 120611650

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(2,3-dihydro-1H-inden-1-ylmethyl)urea?
The IUPAC name of 1-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(2,3-dihydro-1H-inden-1-ylmethyl)urea (CID 126776766) is 1-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(2,3-dihydro-1H-inden-1-ylmethyl)urea.
What is the SMILES notation for 1-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(2,3-dihydro-1H-inden-1-ylmethyl)urea?
The canonical SMILES for 1-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(2,3-dihydro-1H-inden-1-ylmethyl)urea is O=C(NCC1CCc2ccccc21)NC1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 1-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(2,3-dihydro-1H-inden-1-ylmethyl)urea?
The InChIKey is KLUFUBVRFJBALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c23-19(20-13-15-6-5-14-3-1-2-4-18(14)15)21-16-9-11-22(12-10-16)26(24,25)17-7-8-17/h1-4,15-17H,5-13H2,(H2,20,21,23).
What are the key properties of 1-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(2,3-dihydro-1H-inden-1-ylmethyl)urea?
1-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(2,3-dihydro-1H-inden-1-ylmethyl)urea has a molecular weight of 377.51 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(2,3-dihydro-1H-inden-1-ylmethyl)urea is sourced from PubChem (CID 126776766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).