N-[butan-2-ylsulfanyl(ethylamino)phosphoryl]-N-ethylformamide

C9H21N2O2PS — CID 54113607

IUPACN-[butan-2-ylsulfanyl(ethylamino)phosphoryl]-N-ethylformamide
SMILESCCNP(=O)(SC(C)CC)N(C=O)CC
InChIInChI=1S/C9H21N2O2PS/c1-5-9(4)15-14(13,10-6-2)11(7-3)8-12/h8-9H,5-7H2,1-4H3,(H,10,13)
InChIKeyNIUIQJYDBBNTEA-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.71
Rot. Bonds8

About N-[butan-2-ylsulfanyl(ethylamino)phosphoryl]-N-ethylformamide

N-[butan-2-ylsulfanyl(ethylamino)phosphoryl]-N-ethylformamide (PubChem CID 54113607) has the molecular formula C9H21N2O2PS and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[butan-2-ylsulfanyl(ethylamino)phosphoryl]-N-ethylformamide.

Molecular Properties

Compound NameN-[butan-2-ylsulfanyl(ethylamino)phosphoryl]-N-ethylformamide
PubChem CID54113607
Molecular FormulaC9H21N2O2PS
Molecular Weight252.32 g/mol
Exact Mass252.11
IUPAC NameN-[butan-2-ylsulfanyl(ethylamino)phosphoryl]-N-ethylformamide
SMILESCCNP(=O)(SC(C)CC)N(C=O)CC
InChIInChI=1S/C9H21N2O2PS/c1-5-9(4)15-14(13,10-6-2)11(7-3)8-12/h8-9H,5-7H2,1-4H3,(H,10,13)
InChIKeyNIUIQJYDBBNTEA-UHFFFAOYSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[butan-2-ylsulfanyl(ethylamino)phosphoryl]-N-ethylformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-ethylformamide
CID 117061131
N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-propylformamide
CID 117061132
N-[butan-2-ylsulfanyl(methylamino)phosphoryl]-N-methylprop-2-enamide
CID 88784059
N'-(4-acetylphenyl)-N-[butan-2-ylsulfanyl(methylamino)phosphoryl]-N-ethylmethanimidamide
CID 57099973
N-[butan-2-ylsulfanyl(methylamino)phosphoryl]-N-(2-methoxyethyl)methanesulfonamide
CID 54522365
S-propyl 2-[[butan-2-ylsulfanyl-[formyl(methyl)amino]phosphoryl]-methylamino]-2-oxoethanethioate
CID 54293744
2-[bis(butan-2-ylsulfanyl)phosphorylmethyl-ethylamino]acetic acid
CID 88776343
N-[butan-2-ylsulfanyl(chloro)phosphoryl]-N-methylmethanesulfonamide
CID 54521959
N-[[butan-2-ylsulfanyl(ethyl)phosphoryl]-methylsulfamoyl]-N-methylmethanamine
CID 86742742
N-methyl-N-[methylamino(propylsulfanyl)phosphoryl]formamide
CID 20551318
2-[propylsulfanyl(2,2,2-trifluoroethoxy)phosphoryl]sulfanylbutane
CID 13343966
N,N-bis(4-methylpentan-2-yl)formamide
CID 57421709

Frequently Asked Questions

What is the IUPAC name of N-[butan-2-ylsulfanyl(ethylamino)phosphoryl]-N-ethylformamide?
The IUPAC name of N-[butan-2-ylsulfanyl(ethylamino)phosphoryl]-N-ethylformamide (CID 54113607) is N-[butan-2-ylsulfanyl(ethylamino)phosphoryl]-N-ethylformamide.
What is the SMILES notation for N-[butan-2-ylsulfanyl(ethylamino)phosphoryl]-N-ethylformamide?
The canonical SMILES for N-[butan-2-ylsulfanyl(ethylamino)phosphoryl]-N-ethylformamide is CCNP(=O)(SC(C)CC)N(C=O)CC.
What is the InChIKey of N-[butan-2-ylsulfanyl(ethylamino)phosphoryl]-N-ethylformamide?
The InChIKey is NIUIQJYDBBNTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2O2PS/c1-5-9(4)15-14(13,10-6-2)11(7-3)8-12/h8-9H,5-7H2,1-4H3,(H,10,13).
What are the key properties of N-[butan-2-ylsulfanyl(ethylamino)phosphoryl]-N-ethylformamide?
N-[butan-2-ylsulfanyl(ethylamino)phosphoryl]-N-ethylformamide has a molecular weight of 252.32 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butan-2-ylsulfanyl(ethylamino)phosphoryl]-N-ethylformamide is sourced from PubChem (CID 54113607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).