N-[hydroxy(phenyl)phosphinothioyl]butan-1-amine

C10H16NOPS — CID 130397670

IUPACN-[hydroxy(phenyl)phosphinothioyl]butan-1-amine
SMILESCCCCNP(O)(=S)c1ccccc1
InChIInChI=1S/C10H16NOPS/c1-2-3-9-11-13(12,14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,11,12,14)
InChIKeyCKLWXPKIJUYFKM-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.00
Rot. Bonds5

About N-[hydroxy(phenyl)phosphinothioyl]butan-1-amine

N-[hydroxy(phenyl)phosphinothioyl]butan-1-amine (PubChem CID 130397670) has the molecular formula C10H16NOPS and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[hydroxy(phenyl)phosphinothioyl]butan-1-amine.

Molecular Properties

Compound NameN-[hydroxy(phenyl)phosphinothioyl]butan-1-amine
PubChem CID130397670
Molecular FormulaC10H16NOPS
Molecular Weight229.28 g/mol
Exact Mass229.07
IUPAC NameN-[hydroxy(phenyl)phosphinothioyl]butan-1-amine
SMILESCCCCNP(O)(=S)c1ccccc1
InChIInChI=1S/C10H16NOPS/c1-2-3-9-11-13(12,14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,11,12,14)
InChIKeyCKLWXPKIJUYFKM-UHFFFAOYSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-[butylamino(phenyl)phosphoryl]butan-1-amine
CID 12884898
dioctyl-phenyl-sulfanylidene-λ5-phosphane
CID 54529232
dibutoxy-phenyl-sulfanylidene-lambda5-phosphane
CID 10968132
nonylbenzene;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173454942
nonylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 87186209
1,1-difluorohex-1-en-2-yl-diphenyl-sulfanylidene-lambda5-phosphane
CID 11099759
phenyl-dipropyl-sulfanylidene-λ5-phosphane
CID 135075774
docosylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 175022672
dodecylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 173455450
1,1-dibenzyl-3-butylthiourea
CID 3522415
bis[4-(butylamino)phenyl]phosphinic acid
CID 139517434
hexoxy-diphenyl-sulfanylidene-λ5-phosphane
CID 134935003

Frequently Asked Questions

What is the IUPAC name of N-[hydroxy(phenyl)phosphinothioyl]butan-1-amine?
The IUPAC name of N-[hydroxy(phenyl)phosphinothioyl]butan-1-amine (CID 130397670) is N-[hydroxy(phenyl)phosphinothioyl]butan-1-amine.
What is the SMILES notation for N-[hydroxy(phenyl)phosphinothioyl]butan-1-amine?
The canonical SMILES for N-[hydroxy(phenyl)phosphinothioyl]butan-1-amine is CCCCNP(O)(=S)c1ccccc1.
What is the InChIKey of N-[hydroxy(phenyl)phosphinothioyl]butan-1-amine?
The InChIKey is CKLWXPKIJUYFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NOPS/c1-2-3-9-11-13(12,14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,11,12,14).
What are the key properties of N-[hydroxy(phenyl)phosphinothioyl]butan-1-amine?
N-[hydroxy(phenyl)phosphinothioyl]butan-1-amine has a molecular weight of 229.28 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroxy(phenyl)phosphinothioyl]butan-1-amine is sourced from PubChem (CID 130397670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).