6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione

C17H22N4O4S — CID 119987604

IUPAC6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)N3CCC(NCC4CC4)CC3)ccc2[nH]1
InChIInChI=1S/C17H22N4O4S/c22-16-14-9-13(3-4-15(14)19-17(23)20-16)26(24,25)21-7-5-12(6-8-21)18-10-11-1-2-11/h3-4,9,11-12,18H,1-2,5-8,10H2,(H2,19,20,22,23)
InChIKeyZFDOWRNKZNLKMX-UHFFFAOYSA-N
MW378.45 g/mol
LogP0.37
Rot. Bonds5

About 6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione

6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione (PubChem CID 119987604) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
PubChem CID119987604
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)N3CCC(NCC4CC4)CC3)ccc2[nH]1
InChIInChI=1S/C17H22N4O4S/c22-16-14-9-13(3-4-15(14)19-17(23)20-16)26(24,25)21-7-5-12(6-8-21)18-10-11-1-2-11/h3-4,9,11-12,18H,1-2,5-8,10H2,(H2,19,20,22,23)
InChIKeyZFDOWRNKZNLKMX-UHFFFAOYSA-N
XLogP0.37
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119987587
1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119987758
6-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 55627740
6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 129325738
N-(cyclopropylmethyl)-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-4-amine
CID 119987863
N-(cyclopropylmethyl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine
CID 119987730
6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 124692940
5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide
CID 119987776
6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 55559273
N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034344
N-(cyclopropylmethyl)-1-(4-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119987781
N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987428

Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The IUPAC name of 6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione (CID 119987604) is 6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione is O=c1[nH]c(=O)c2cc(S(=O)(=O)N3CCC(NCC4CC4)CC3)ccc2[nH]1.
What is the InChIKey of 6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The InChIKey is ZFDOWRNKZNLKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c22-16-14-9-13(3-4-15(14)19-17(23)20-16)26(24,25)21-7-5-12(6-8-21)18-10-11-1-2-11/h3-4,9,11-12,18H,1-2,5-8,10H2,(H2,19,20,22,23).
What are the key properties of 6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione has a molecular weight of 378.45 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 119987604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).