[4-[(4-methylthiolan-3-yl)amino]phenyl]urea

C12H17N3OS — CID 114285169

IUPAC[4-[(4-methylthiolan-3-yl)amino]phenyl]urea
SMILESCC1CSCC1Nc1ccc(NC(N)=O)cc1
InChIInChI=1S/C12H17N3OS/c1-8-6-17-7-11(8)14-9-2-4-10(5-3-9)15-12(13)16/h2-5,8,11,14H,6-7H2,1H3,(H3,13,15,16)
InChIKeyOBASEDWTYBCTTR-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.34
Rot. Bonds3

About [4-[(4-methylthiolan-3-yl)amino]phenyl]urea

[4-[(4-methylthiolan-3-yl)amino]phenyl]urea (PubChem CID 114285169) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is [4-[(4-methylthiolan-3-yl)amino]phenyl]urea.

Molecular Properties

Compound Name[4-[(4-methylthiolan-3-yl)amino]phenyl]urea
PubChem CID114285169
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name[4-[(4-methylthiolan-3-yl)amino]phenyl]urea
SMILESCC1CSCC1Nc1ccc(NC(N)=O)cc1
InChIInChI=1S/C12H17N3OS/c1-8-6-17-7-11(8)14-9-2-4-10(5-3-9)15-12(13)16/h2-5,8,11,14H,6-7H2,1H3,(H3,13,15,16)
InChIKeyOBASEDWTYBCTTR-UHFFFAOYSA-N
XLogP2.34
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea
CID 106662193
[4-(cyclopropylamino)phenyl]urea
CID 103439135
[4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea
CID 64744825
[4-(cyclopentylamino)phenyl]urea
CID 43744886
[4-(1-azabicyclo[2.2.2]octan-3-ylamino)phenyl]urea
CID 43745037
[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea
CID 79927779
4-methyl-N-(3-methyl-4-nitrophenyl)thiolan-3-amine
CID 114285182
[4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea
CID 93294306
N-[4-(carbamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82909460
[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea
CID 63022469
2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868238
(4-bromophenyl)urea
CID 16074

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylthiolan-3-yl)amino]phenyl]urea?
The IUPAC name of [4-[(4-methylthiolan-3-yl)amino]phenyl]urea (CID 114285169) is [4-[(4-methylthiolan-3-yl)amino]phenyl]urea.
What is the SMILES notation for [4-[(4-methylthiolan-3-yl)amino]phenyl]urea?
The canonical SMILES for [4-[(4-methylthiolan-3-yl)amino]phenyl]urea is CC1CSCC1Nc1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[(4-methylthiolan-3-yl)amino]phenyl]urea?
The InChIKey is OBASEDWTYBCTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-8-6-17-7-11(8)14-9-2-4-10(5-3-9)15-12(13)16/h2-5,8,11,14H,6-7H2,1H3,(H3,13,15,16).
What are the key properties of [4-[(4-methylthiolan-3-yl)amino]phenyl]urea?
[4-[(4-methylthiolan-3-yl)amino]phenyl]urea has a molecular weight of 251.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylthiolan-3-yl)amino]phenyl]urea is sourced from PubChem (CID 114285169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).