N-diaminophosphinothioylbutan-1-amine;urea

C5H18N5OPS — CID 90659758

IUPACN-diaminophosphinothioylbutan-1-amine;urea
SMILESCCCCNP(N)(N)=S.NC(N)=O
InChIInChI=1S/C4H14N3PS.CH4N2O/c1-2-3-4-7-8(5,6)9;2-1(3)4/h2-4H2,1H3,(H5,5,6,7,9);(H4,2,3,4)
InChIKeyOMFKETSWWFXBQL-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.46
Rot. Bonds4

About N-diaminophosphinothioylbutan-1-amine;urea

N-diaminophosphinothioylbutan-1-amine;urea (PubChem CID 90659758) has the molecular formula C5H18N5OPS and a molecular weight of 227.27 g/mol. Its IUPAC name is N-diaminophosphinothioylbutan-1-amine;urea.

Molecular Properties

Compound NameN-diaminophosphinothioylbutan-1-amine;urea
PubChem CID90659758
Molecular FormulaC5H18N5OPS
Molecular Weight227.27 g/mol
Exact Mass227.10
IUPAC NameN-diaminophosphinothioylbutan-1-amine;urea
SMILESCCCCNP(N)(N)=S.NC(N)=O
InChIInChI=1S/C4H14N3PS.CH4N2O/c1-2-3-4-7-8(5,6)9;2-1(3)4/h2-4H2,1H3,(H5,5,6,7,9);(H4,2,3,4)
InChIKeyOMFKETSWWFXBQL-UHFFFAOYSA-N
XLogP-0.46
TPSA133.18 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[amino(butylamino)phosphinothioyl]butan-1-amine
CID 151376674
1-[[[amino(butylamino)phosphinothioyl]amino]methyl]-3-[(carbamoylamino)methyl]urea
CID 126497354
acetamide;N-butylbutan-1-amine
CID 172792447
N-[bis(butylamino)phosphoryl]butan-1-amine
CID 15653527
2-(butylamino)butanamide
CID 62901736
2-amino-3-(butylamino)propanamide
CID 103232681
butylurea;silicic acid
CID 86735760
N-butylbutan-1-amine;1,1-diaminourea
CID 174864896
1-(3-amino-3-sulfanylidenepropyl)-3-butylurea
CID 62666323
N-butyl-2-(carbamothioylamino)acetamide
CID 86103798
ethyl 4-(diaminophosphorylamino)butanoate
CID 88722731
N-[amino(propylamino)phosphinothioyl]propan-1-amine
CID 165357637

Frequently Asked Questions

What is the IUPAC name of N-diaminophosphinothioylbutan-1-amine;urea?
The IUPAC name of N-diaminophosphinothioylbutan-1-amine;urea (CID 90659758) is N-diaminophosphinothioylbutan-1-amine;urea.
What is the SMILES notation for N-diaminophosphinothioylbutan-1-amine;urea?
The canonical SMILES for N-diaminophosphinothioylbutan-1-amine;urea is CCCCNP(N)(N)=S.NC(N)=O.
What is the InChIKey of N-diaminophosphinothioylbutan-1-amine;urea?
The InChIKey is OMFKETSWWFXBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N3PS.CH4N2O/c1-2-3-4-7-8(5,6)9;2-1(3)4/h2-4H2,1H3,(H5,5,6,7,9);(H4,2,3,4).
What are the key properties of N-diaminophosphinothioylbutan-1-amine;urea?
N-diaminophosphinothioylbutan-1-amine;urea has a molecular weight of 227.27 g/mol, XLogP of -0.46, 4 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diaminophosphinothioylbutan-1-amine;urea is sourced from PubChem (CID 90659758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).