N-diaminophosphinothioyl-2-methyl-2-(sulfanylmethyl)butanamide

C6H16N3OPS2 — CID 88694464

IUPACN-diaminophosphinothioyl-2-methyl-2-(sulfanylmethyl)butanamide
SMILESCCC(C)(CS)C(=O)NP(N)(N)=S
InChIInChI=1S/C6H16N3OPS2/c1-3-6(2,4-12)5(10)9-11(7,8)13/h12H,3-4H2,1-2H3,(H5,7,8,9,10,13)
InChIKeyJBVARUHUFULGEP-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.59
Rot. Bonds4

About N-diaminophosphinothioyl-2-methyl-2-(sulfanylmethyl)butanamide

N-diaminophosphinothioyl-2-methyl-2-(sulfanylmethyl)butanamide (PubChem CID 88694464) has the molecular formula C6H16N3OPS2 and a molecular weight of 241.32 g/mol. Its IUPAC name is N-diaminophosphinothioyl-2-methyl-2-(sulfanylmethyl)butanamide.

Molecular Properties

Compound NameN-diaminophosphinothioyl-2-methyl-2-(sulfanylmethyl)butanamide
PubChem CID88694464
Molecular FormulaC6H16N3OPS2
Molecular Weight241.32 g/mol
Exact Mass241.05
IUPAC NameN-diaminophosphinothioyl-2-methyl-2-(sulfanylmethyl)butanamide
SMILESCCC(C)(CS)C(=O)NP(N)(N)=S
InChIInChI=1S/C6H16N3OPS2/c1-3-6(2,4-12)5(10)9-11(7,8)13/h12H,3-4H2,1-2H3,(H5,7,8,9,10,13)
InChIKeyJBVARUHUFULGEP-UHFFFAOYSA-N
XLogP0.59
TPSA81.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-N-diaminophosphinothioylpropanamide
CID 56995499
2-(aminomethyl)-N,2-dimethylbutanamide
CID 114290214
2-(aminomethyl)-N-ethyl-2-methylbutanamide
CID 114290216
2-ethyl-2-methylpentanamide
CID 22376566
2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 114290297
(1-methylcyclohexyl) 2-methyl-2-(sulfanylmethyl)butanoate
CID 174355146
2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide
CID 103461801
N-(3-aminopropyl)-2-ethyl-2-methylbutanamide
CID 88552246
N-ethyl-2,2-bis(sulfanylmethyl)butanamide
CID 23104520
4-ethyl-4-methyl-3-oxohexanoic acid
CID 10511393
2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide
CID 114941575
2-amino-N-(2,2-dimethylpropyl)-2-methylbutanamide
CID 79805965

Frequently Asked Questions

What is the IUPAC name of N-diaminophosphinothioyl-2-methyl-2-(sulfanylmethyl)butanamide?
The IUPAC name of N-diaminophosphinothioyl-2-methyl-2-(sulfanylmethyl)butanamide (CID 88694464) is N-diaminophosphinothioyl-2-methyl-2-(sulfanylmethyl)butanamide.
What is the SMILES notation for N-diaminophosphinothioyl-2-methyl-2-(sulfanylmethyl)butanamide?
The canonical SMILES for N-diaminophosphinothioyl-2-methyl-2-(sulfanylmethyl)butanamide is CCC(C)(CS)C(=O)NP(N)(N)=S.
What is the InChIKey of N-diaminophosphinothioyl-2-methyl-2-(sulfanylmethyl)butanamide?
The InChIKey is JBVARUHUFULGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N3OPS2/c1-3-6(2,4-12)5(10)9-11(7,8)13/h12H,3-4H2,1-2H3,(H5,7,8,9,10,13).
What are the key properties of N-diaminophosphinothioyl-2-methyl-2-(sulfanylmethyl)butanamide?
N-diaminophosphinothioyl-2-methyl-2-(sulfanylmethyl)butanamide has a molecular weight of 241.32 g/mol, XLogP of 0.59, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diaminophosphinothioyl-2-methyl-2-(sulfanylmethyl)butanamide is sourced from PubChem (CID 88694464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).