N-[10-(dihydroxyphosphinothioylamino)decyl]-2-methylprop-2-enamide

C14H29N2O3PS — CID 20684941

IUPACN-[10-(dihydroxyphosphinothioylamino)decyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCCCCCNP(O)(O)=S
InChIInChI=1S/C14H29N2O3PS/c1-13(2)14(17)15-11-9-7-5-3-4-6-8-10-12-16-20(18,19)21/h1,3-12H2,2H3,(H,15,17)(H3,16,18,19,21)
InChIKeyLGLTZQUNRFFXDZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.60
Rot. Bonds13

About N-[10-(dihydroxyphosphinothioylamino)decyl]-2-methylprop-2-enamide

N-[10-(dihydroxyphosphinothioylamino)decyl]-2-methylprop-2-enamide (PubChem CID 20684941) has the molecular formula C14H29N2O3PS and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[10-(dihydroxyphosphinothioylamino)decyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[10-(dihydroxyphosphinothioylamino)decyl]-2-methylprop-2-enamide
PubChem CID20684941
Molecular FormulaC14H29N2O3PS
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC NameN-[10-(dihydroxyphosphinothioylamino)decyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCCCCCNP(O)(O)=S
InChIInChI=1S/C14H29N2O3PS/c1-13(2)14(17)15-11-9-7-5-3-4-6-8-10-12-16-20(18,19)21/h1,3-12H2,2H3,(H,15,17)(H3,16,18,19,21)
InChIKeyLGLTZQUNRFFXDZ-UHFFFAOYSA-N
XLogP2.60
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[10-(dihydroxyphosphinothioylamino)decyl]-2-methylprop-2-enamide?
The IUPAC name of N-[10-(dihydroxyphosphinothioylamino)decyl]-2-methylprop-2-enamide (CID 20684941) is N-[10-(dihydroxyphosphinothioylamino)decyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[10-(dihydroxyphosphinothioylamino)decyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[10-(dihydroxyphosphinothioylamino)decyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCCCCCCCCCNP(O)(O)=S.
What is the InChIKey of N-[10-(dihydroxyphosphinothioylamino)decyl]-2-methylprop-2-enamide?
The InChIKey is LGLTZQUNRFFXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N2O3PS/c1-13(2)14(17)15-11-9-7-5-3-4-6-8-10-12-16-20(18,19)21/h1,3-12H2,2H3,(H,15,17)(H3,16,18,19,21).
What are the key properties of N-[10-(dihydroxyphosphinothioylamino)decyl]-2-methylprop-2-enamide?
N-[10-(dihydroxyphosphinothioylamino)decyl]-2-methylprop-2-enamide has a molecular weight of 336.44 g/mol, XLogP of 2.60, 13 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-(dihydroxyphosphinothioylamino)decyl]-2-methylprop-2-enamide is sourced from PubChem (CID 20684941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).