1-(aminosulfanylmethyl)-1,3-diphenylurea

C14H15N3OS — CID 90925999

IUPAC1-(aminosulfanylmethyl)-1,3-diphenylurea
SMILESNSCN(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15N3OS/c15-19-11-17(13-9-5-2-6-10-13)14(18)16-12-7-3-1-4-8-12/h1-10H,11,15H2,(H,16,18)
InChIKeyXXFUTOIJBFJMAO-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.29
Rot. Bonds4

About 1-(aminosulfanylmethyl)-1,3-diphenylurea

1-(aminosulfanylmethyl)-1,3-diphenylurea (PubChem CID 90925999) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(aminosulfanylmethyl)-1,3-diphenylurea.

Molecular Properties

Compound Name1-(aminosulfanylmethyl)-1,3-diphenylurea
PubChem CID90925999
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-(aminosulfanylmethyl)-1,3-diphenylurea
SMILESNSCN(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15N3OS/c15-19-11-17(13-9-5-2-6-10-13)14(18)16-12-7-3-1-4-8-12/h1-10H,11,15H2,(H,16,18)
InChIKeyXXFUTOIJBFJMAO-UHFFFAOYSA-N
XLogP3.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(aminosulfanylmethyl)-1,3-diphenylthiourea
CID 90755015
1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea
CID 122416480
2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid
CID 60829611
2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid
CID 66355663
2-[N-[(3-bromophenyl)carbamoyl]anilino]acetic acid
CID 61191509
3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea
CID 108884791
1-phenyl-1-propyl-3-pyridin-4-ylurea
CID 134101956
2-[N-[(4-nitrophenyl)carbamoyl]anilino]ethylazanium
CID 7201824
3-(4-nitrophenyl)-1-phenyl-1-prop-2-enylurea
CID 177420142
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
1,3-diphenyl-1-triethylsilylurea
CID 21314542
1-(N-carbamoylanilino)-1-methyl-3-phenylurea
CID 57010745

Frequently Asked Questions

What is the IUPAC name of 1-(aminosulfanylmethyl)-1,3-diphenylurea?
The IUPAC name of 1-(aminosulfanylmethyl)-1,3-diphenylurea (CID 90925999) is 1-(aminosulfanylmethyl)-1,3-diphenylurea.
What is the SMILES notation for 1-(aminosulfanylmethyl)-1,3-diphenylurea?
The canonical SMILES for 1-(aminosulfanylmethyl)-1,3-diphenylurea is NSCN(C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(aminosulfanylmethyl)-1,3-diphenylurea?
The InChIKey is XXFUTOIJBFJMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c15-19-11-17(13-9-5-2-6-10-13)14(18)16-12-7-3-1-4-8-12/h1-10H,11,15H2,(H,16,18).
What are the key properties of 1-(aminosulfanylmethyl)-1,3-diphenylurea?
1-(aminosulfanylmethyl)-1,3-diphenylurea has a molecular weight of 273.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminosulfanylmethyl)-1,3-diphenylurea is sourced from PubChem (CID 90925999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).