1-(2-tert-butylsulfinylcyclohexyl)-3-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]urea

C18H33N3O3S — CID 143105646

IUPAC1-(2-tert-butylsulfinylcyclohexyl)-3-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]urea
SMILESCC1CCCN1C(=O)CNC(=O)NC1CCCCC1S(=O)C(C)(C)C
InChIInChI=1S/C18H33N3O3S/c1-13-8-7-11-21(13)16(22)12-19-17(23)20-14-9-5-6-10-15(14)25(24)18(2,3)4/h13-15H,5-12H2,1-4H3,(H2,19,20,23)
InChIKeyYUGQUWISDSUZPG-UHFFFAOYSA-N
MW371.55 g/mol
LogP2.15
Rot. Bonds4

About 1-(2-tert-butylsulfinylcyclohexyl)-3-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]urea

1-(2-tert-butylsulfinylcyclohexyl)-3-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]urea (PubChem CID 143105646) has the molecular formula C18H33N3O3S and a molecular weight of 371.55 g/mol. Its IUPAC name is 1-(2-tert-butylsulfinylcyclohexyl)-3-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]urea.

Molecular Properties

Compound Name1-(2-tert-butylsulfinylcyclohexyl)-3-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]urea
PubChem CID143105646
Molecular FormulaC18H33N3O3S
Molecular Weight371.55 g/mol
Exact Mass371.22
IUPAC Name1-(2-tert-butylsulfinylcyclohexyl)-3-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]urea
SMILESCC1CCCN1C(=O)CNC(=O)NC1CCCCC1S(=O)C(C)(C)C
InChIInChI=1S/C18H33N3O3S/c1-13-8-7-11-21(13)16(22)12-19-17(23)20-14-9-5-6-10-15(14)25(24)18(2,3)4/h13-15H,5-12H2,1-4H3,(H2,19,20,23)
InChIKeyYUGQUWISDSUZPG-UHFFFAOYSA-N
XLogP2.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 78987116
tert-butyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate;ethane;formic acid
CID 143037682
1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(trifluoromethyl)cyclopropyl]urea
CID 143353955
2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]propanamide
CID 145388256
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78914825
tert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate
CID 67102250
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
1-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea
CID 129432943
1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride
CID 119473062
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfinylcyclohexyl)-3-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]urea?
The IUPAC name of 1-(2-tert-butylsulfinylcyclohexyl)-3-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]urea (CID 143105646) is 1-(2-tert-butylsulfinylcyclohexyl)-3-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]urea.
What is the SMILES notation for 1-(2-tert-butylsulfinylcyclohexyl)-3-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]urea?
The canonical SMILES for 1-(2-tert-butylsulfinylcyclohexyl)-3-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]urea is CC1CCCN1C(=O)CNC(=O)NC1CCCCC1S(=O)C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylsulfinylcyclohexyl)-3-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]urea?
The InChIKey is YUGQUWISDSUZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3S/c1-13-8-7-11-21(13)16(22)12-19-17(23)20-14-9-5-6-10-15(14)25(24)18(2,3)4/h13-15H,5-12H2,1-4H3,(H2,19,20,23).
What are the key properties of 1-(2-tert-butylsulfinylcyclohexyl)-3-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]urea?
1-(2-tert-butylsulfinylcyclohexyl)-3-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]urea has a molecular weight of 371.55 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfinylcyclohexyl)-3-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]urea is sourced from PubChem (CID 143105646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).