1-(carbamoylamino)-2-(sulfinoamino)ethane

C3H9N3O3S — CID 90313674

IUPAC1-(carbamoylamino)-2-(sulfinoamino)ethane
SMILESNC(=O)NCCNS(=O)O
InChIInChI=1S/C3H9N3O3S/c4-3(7)5-1-2-6-10(8)9/h6H,1-2H2,(H,8,9)(H3,4,5,7)
InChIKeyNTDUBAHKGYCHKP-UHFFFAOYSA-N
MW167.19 g/mol
LogP-1.62
Rot. Bonds4

About 1-(carbamoylamino)-2-(sulfinoamino)ethane

1-(carbamoylamino)-2-(sulfinoamino)ethane (PubChem CID 90313674) has the molecular formula C3H9N3O3S and a molecular weight of 167.19 g/mol. Its IUPAC name is 1-(carbamoylamino)-2-(sulfinoamino)ethane.

Molecular Properties

Compound Name1-(carbamoylamino)-2-(sulfinoamino)ethane
PubChem CID90313674
Molecular FormulaC3H9N3O3S
Molecular Weight167.19 g/mol
Exact Mass167.04
IUPAC Name1-(carbamoylamino)-2-(sulfinoamino)ethane
SMILESNC(=O)NCCNS(=O)O
InChIInChI=1S/C3H9N3O3S/c4-3(7)5-1-2-6-10(8)9/h6H,1-2H2,(H,8,9)(H3,4,5,7)
InChIKeyNTDUBAHKGYCHKP-UHFFFAOYSA-N
XLogP-1.62
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-4-oxopentyl)urea
CID 87337319
3-chloropropylurea
CID 6421120
N-[2-(carbamoylamino)ethyl]but-2-ynamide
CID 130637362
2-hydroxyethylurea;iron
CID 174789558
1-aminooxy-2-(sulfinoamino)ethane
CID 163917015
N-[2-(carbamoylamino)ethyl]propanamide
CID 78993883
5-(carbamoylamino)pentanamide;hydrochloride
CID 175794567
2-[2-(2-aminoethylamino)ethylamino]ethylurea
CID 175595434
12-hydroxydodecylurea
CID 57265418
pentylurea;hydrate
CID 172845599
3-trifluorosilylpropylurea
CID 174136032
ethane;2-hydroxyethylurea
CID 144763401

Frequently Asked Questions

What is the IUPAC name of 1-(carbamoylamino)-2-(sulfinoamino)ethane?
The IUPAC name of 1-(carbamoylamino)-2-(sulfinoamino)ethane (CID 90313674) is 1-(carbamoylamino)-2-(sulfinoamino)ethane.
What is the SMILES notation for 1-(carbamoylamino)-2-(sulfinoamino)ethane?
The canonical SMILES for 1-(carbamoylamino)-2-(sulfinoamino)ethane is NC(=O)NCCNS(=O)O.
What is the InChIKey of 1-(carbamoylamino)-2-(sulfinoamino)ethane?
The InChIKey is NTDUBAHKGYCHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O3S/c4-3(7)5-1-2-6-10(8)9/h6H,1-2H2,(H,8,9)(H3,4,5,7).
What are the key properties of 1-(carbamoylamino)-2-(sulfinoamino)ethane?
1-(carbamoylamino)-2-(sulfinoamino)ethane has a molecular weight of 167.19 g/mol, XLogP of -1.62, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)-2-(sulfinoamino)ethane is sourced from PubChem (CID 90313674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).