1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea

C18H27N3O3S — CID 110309157

IUPAC1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
SMILESCC1CCCCN1S(=O)(=O)c1ccc(CCNC(=O)NC2CC2)cc1
InChIInChI=1S/C18H27N3O3S/c1-14-4-2-3-13-21(14)25(23,24)17-9-5-15(6-10-17)11-12-19-18(22)20-16-7-8-16/h5-6,9-10,14,16H,2-4,7-8,11-13H2,1H3,(H2,19,20,22)
InChIKeyTXSVLSVABHNZCY-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.25
Rot. Bonds6

About 1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea

1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea (PubChem CID 110309157) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
PubChem CID110309157
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
SMILESCC1CCCCN1S(=O)(=O)c1ccc(CCNC(=O)NC2CC2)cc1
InChIInChI=1S/C18H27N3O3S/c1-14-4-2-3-13-21(14)25(23,24)17-9-5-15(6-10-17)11-12-19-18(22)20-16-7-8-16/h5-6,9-10,14,16H,2-4,7-8,11-13H2,1H3,(H2,19,20,22)
InChIKeyTXSVLSVABHNZCY-UHFFFAOYSA-N
XLogP2.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110309158
1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110630199
ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate
CID 110291797
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide
CID 110291796
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide
CID 110291803
2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823
1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea
CID 110776114
4-(2-methylpiperidin-1-yl)sulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 46431882
2-methyl-1-(4-pentylphenyl)sulfonylpiperidine
CID 3419634
N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9217485
3,5-difluoro-N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridin-4-amine
CID 167859641
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea (CID 110309157) is 1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea is CC1CCCCN1S(=O)(=O)c1ccc(CCNC(=O)NC2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea?
The InChIKey is TXSVLSVABHNZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-14-4-2-3-13-21(14)25(23,24)17-9-5-15(6-10-17)11-12-19-18(22)20-16-7-8-16/h5-6,9-10,14,16H,2-4,7-8,11-13H2,1H3,(H2,19,20,22).
What are the key properties of 1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea?
1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea has a molecular weight of 365.50 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea is sourced from PubChem (CID 110309157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).