2-(2-phenylsulfanylethylamino)ethylurea

C11H17N3OS — CID 83113958

IUPAC2-(2-phenylsulfanylethylamino)ethylurea
SMILESNC(=O)NCCNCCSc1ccccc1
InChIInChI=1S/C11H17N3OS/c12-11(15)14-7-6-13-8-9-16-10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H3,12,14,15)
InChIKeyHNKJQSOCUHKOGY-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.04
Rot. Bonds7

About 2-(2-phenylsulfanylethylamino)ethylurea

2-(2-phenylsulfanylethylamino)ethylurea (PubChem CID 83113958) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(2-phenylsulfanylethylamino)ethylurea.

Molecular Properties

Compound Name2-(2-phenylsulfanylethylamino)ethylurea
PubChem CID83113958
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-(2-phenylsulfanylethylamino)ethylurea
SMILESNC(=O)NCCNCCSc1ccccc1
InChIInChI=1S/C11H17N3OS/c12-11(15)14-7-6-13-8-9-16-10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H3,12,14,15)
InChIKeyHNKJQSOCUHKOGY-UHFFFAOYSA-N
XLogP1.04
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-phenylsulfanylethylamino)butanamide
CID 79214062
2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide
CID 114162393
2-phenylsulfanyl-N-[2-[2-(2-phenylsulfanylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 6431756
N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 11708797
4-oxo-4-(2-phenylsulfanylethylamino)butanoic acid
CID 54881086
2-[2-[(2-phenylsulfanylethylamino)methyl]phenyl]acetic acid
CID 115461678
ethyl 2-(2-phenylsulfanylethylamino)acetate
CID 60681841
N'-(2-phenylsulfanylethyl)butane-1,4-diamine;dihydrochloride
CID 45261767
(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride
CID 119272241
2-methoxy-N-(2-phenylsulfanylethyl)ethanamine
CID 60721151
2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide
CID 103603525
N-cyclopropyl-3-(2-phenylsulfanylethylamino)propanamide
CID 55098586

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylsulfanylethylamino)ethylurea?
The IUPAC name of 2-(2-phenylsulfanylethylamino)ethylurea (CID 83113958) is 2-(2-phenylsulfanylethylamino)ethylurea.
What is the SMILES notation for 2-(2-phenylsulfanylethylamino)ethylurea?
The canonical SMILES for 2-(2-phenylsulfanylethylamino)ethylurea is NC(=O)NCCNCCSc1ccccc1.
What is the InChIKey of 2-(2-phenylsulfanylethylamino)ethylurea?
The InChIKey is HNKJQSOCUHKOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c12-11(15)14-7-6-13-8-9-16-10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H3,12,14,15).
What are the key properties of 2-(2-phenylsulfanylethylamino)ethylurea?
2-(2-phenylsulfanylethylamino)ethylurea has a molecular weight of 239.34 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylsulfanylethylamino)ethylurea is sourced from PubChem (CID 83113958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).