N-[2-[(2-methyl-4-phosphanyloxypentan-2-yl)disulfanyl]ethyl]acetamide

C10H22NO2PS2 — CID 176611222

IUPACN-[2-[(2-methyl-4-phosphanyloxypentan-2-yl)disulfanyl]ethyl]acetamide
SMILESCC(=O)NCCSSC(C)(C)CC(C)OP
InChIInChI=1S/C10H22NO2PS2/c1-8(13-14)7-10(3,4)16-15-6-5-11-9(2)12/h8H,5-7,14H2,1-4H3,(H,11,12)
InChIKeyNRHVZBMIWMXREQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.87
Rot. Bonds8

About N-[2-[(2-methyl-4-phosphanyloxypentan-2-yl)disulfanyl]ethyl]acetamide

N-[2-[(2-methyl-4-phosphanyloxypentan-2-yl)disulfanyl]ethyl]acetamide (PubChem CID 176611222) has the molecular formula C10H22NO2PS2 and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[2-[(2-methyl-4-phosphanyloxypentan-2-yl)disulfanyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-4-phosphanyloxypentan-2-yl)disulfanyl]ethyl]acetamide
PubChem CID176611222
Molecular FormulaC10H22NO2PS2
Molecular Weight283.40 g/mol
Exact Mass283.08
IUPAC NameN-[2-[(2-methyl-4-phosphanyloxypentan-2-yl)disulfanyl]ethyl]acetamide
SMILESCC(=O)NCCSSC(C)(C)CC(C)OP
InChIInChI=1S/C10H22NO2PS2/c1-8(13-14)7-10(3,4)16-15-6-5-11-9(2)12/h8H,5-7,14H2,1-4H3,(H,11,12)
InChIKeyNRHVZBMIWMXREQ-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-phosphanyloxypropyldisulfanyl)ethyl]acetamide
CID 176611212
N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide
CID 87109583
2-bromo-N-[2-(tert-butyldisulfanyl)ethyl]propanamide
CID 58970903
N-[2-(2-methylpropylsulfanyl)ethyl]acetamide
CID 146329372
S-(2-acetamidoethyl) (213C)ethanethioate
CID 46188004
N-(2-methoxypropyl)acetamide
CID 90876780
N-[2-(1-methoxyethoxy)propyl]acetamide
CID 143226196
CID 59075972
CID 59075972
[(2S)-3-[2-[2-[[(2S)-3-acetyloxy-2-aminopropanoyl]amino]ethyldisulfanyl]ethylamino]-2-amino-3-oxopropyl] acetate;2,2,2-trifluoroacetic acid
CID 24843233
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 54494115
(2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide
CID 18631474
(2S)-N-(2-acetamidoethylsulfanylmethyl)-2-aminopropanamide
CID 167237972

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-4-phosphanyloxypentan-2-yl)disulfanyl]ethyl]acetamide?
The IUPAC name of N-[2-[(2-methyl-4-phosphanyloxypentan-2-yl)disulfanyl]ethyl]acetamide (CID 176611222) is N-[2-[(2-methyl-4-phosphanyloxypentan-2-yl)disulfanyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2-methyl-4-phosphanyloxypentan-2-yl)disulfanyl]ethyl]acetamide?
The canonical SMILES for N-[2-[(2-methyl-4-phosphanyloxypentan-2-yl)disulfanyl]ethyl]acetamide is CC(=O)NCCSSC(C)(C)CC(C)OP.
What is the InChIKey of N-[2-[(2-methyl-4-phosphanyloxypentan-2-yl)disulfanyl]ethyl]acetamide?
The InChIKey is NRHVZBMIWMXREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO2PS2/c1-8(13-14)7-10(3,4)16-15-6-5-11-9(2)12/h8H,5-7,14H2,1-4H3,(H,11,12).
What are the key properties of N-[2-[(2-methyl-4-phosphanyloxypentan-2-yl)disulfanyl]ethyl]acetamide?
N-[2-[(2-methyl-4-phosphanyloxypentan-2-yl)disulfanyl]ethyl]acetamide has a molecular weight of 283.40 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-4-phosphanyloxypentan-2-yl)disulfanyl]ethyl]acetamide is sourced from PubChem (CID 176611222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).