[3-(carbamoylamino)phenyl]sulfinylurea

C8H10N4O3S — CID 143834498

IUPAC[3-(carbamoylamino)phenyl]sulfinylurea
SMILESNC(=O)Nc1cccc(S(=O)NC(N)=O)c1
InChIInChI=1S/C8H10N4O3S/c9-7(13)11-5-2-1-3-6(4-5)16(15)12-8(10)14/h1-4H,(H3,9,11,13)(H3,10,12,14)
InChIKeyQKEKOUAQUIEKQK-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.13
Rot. Bonds3

About [3-(carbamoylamino)phenyl]sulfinylurea

[3-(carbamoylamino)phenyl]sulfinylurea (PubChem CID 143834498) has the molecular formula C8H10N4O3S and a molecular weight of 242.26 g/mol. Its IUPAC name is [3-(carbamoylamino)phenyl]sulfinylurea.

Molecular Properties

Compound Name[3-(carbamoylamino)phenyl]sulfinylurea
PubChem CID143834498
Molecular FormulaC8H10N4O3S
Molecular Weight242.26 g/mol
Exact Mass242.05
IUPAC Name[3-(carbamoylamino)phenyl]sulfinylurea
SMILESNC(=O)Nc1cccc(S(=O)NC(N)=O)c1
InChIInChI=1S/C8H10N4O3S/c9-7(13)11-5-2-1-3-6(4-5)16(15)12-8(10)14/h1-4H,(H3,9,11,13)(H3,10,12,14)
InChIKeyQKEKOUAQUIEKQK-UHFFFAOYSA-N
XLogP-0.13
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(chloroamino)phenyl]urea
CID 155328094
[3-(methylamino)phenyl]urea
CID 23558981
methyl 3-(carbamoylamino)benzoate
CID 2822841
molecular hydrogen;phenylurea
CID 143657584
2-(3-methylsulfinylanilino)-2-oxoacetic acid
CID 21442505
3-(methylcarbamoylamino)benzenesulfinic acid
CID 71133455
3-(3-methylbuta-1,3-dien-2-ylamino)benzenesulfinic acid
CID 89224769
3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide
CID 29201519
methyl N-[[3-(carbamoylamino)phenyl]methyl]carbamate
CID 150640545
2-amino-N-(3-methylsulfinylphenyl)propanamide;hydrochloride
CID 119300630
[3-(prop-2-ynylamino)phenyl]urea
CID 63951484
(3-chlorophenyl)urea;1,2-xylene
CID 70502289

Frequently Asked Questions

What is the IUPAC name of [3-(carbamoylamino)phenyl]sulfinylurea?
The IUPAC name of [3-(carbamoylamino)phenyl]sulfinylurea (CID 143834498) is [3-(carbamoylamino)phenyl]sulfinylurea.
What is the SMILES notation for [3-(carbamoylamino)phenyl]sulfinylurea?
The canonical SMILES for [3-(carbamoylamino)phenyl]sulfinylurea is NC(=O)Nc1cccc(S(=O)NC(N)=O)c1.
What is the InChIKey of [3-(carbamoylamino)phenyl]sulfinylurea?
The InChIKey is QKEKOUAQUIEKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3S/c9-7(13)11-5-2-1-3-6(4-5)16(15)12-8(10)14/h1-4H,(H3,9,11,13)(H3,10,12,14).
What are the key properties of [3-(carbamoylamino)phenyl]sulfinylurea?
[3-(carbamoylamino)phenyl]sulfinylurea has a molecular weight of 242.26 g/mol, XLogP of -0.13, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(carbamoylamino)phenyl]sulfinylurea is sourced from PubChem (CID 143834498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).