N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylethanesulfinamide

C9H23N3OS — CID 143141964

IUPACN-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylethanesulfinamide
SMILESCCS(=O)N(C)C[C@@H](NN)C(C)(C)C
InChIInChI=1S/C9H23N3OS/c1-6-14(13)12(5)7-8(11-10)9(2,3)4/h8,11H,6-7,10H2,1-5H3/t8-,14?/m1/s1
InChIKeyYSGYIUPVUIDTIQ-ZSYIFEHUSA-N
MW221.37 g/mol
LogP0.48
Rot. Bonds5

About N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylethanesulfinamide

N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylethanesulfinamide (PubChem CID 143141964) has the molecular formula C9H23N3OS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylethanesulfinamide.

Molecular Properties

Compound NameN-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylethanesulfinamide
PubChem CID143141964
Molecular FormulaC9H23N3OS
Molecular Weight221.37 g/mol
Exact Mass221.16
IUPAC NameN-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylethanesulfinamide
SMILESCCS(=O)N(C)C[C@@H](NN)C(C)(C)C
InChIInChI=1S/C9H23N3OS/c1-6-14(13)12(5)7-8(11-10)9(2,3)4/h8,11H,6-7,10H2,1-5H3/t8-,14?/m1/s1
InChIKeyYSGYIUPVUIDTIQ-ZSYIFEHUSA-N
XLogP0.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3R)-2,2-dimethylhexan-3-yl]hydrazine
CID 124537822
2,2-dimethylhexan-3-ylhydrazine;hydrochloride
CID 175264360
2,2-dimethyloctan-3-ylhydrazine
CID 105203149
2,2-dimethyltetradecan-3-ylhydrazine
CID 105305248
N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylbenzenesulfonamide
CID 143105273
3-ethyl-4-hydrazinyl-N,N,8-trimethylnonan-3-amine
CID 105241898
N-ethyl-N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]pyridine-2-sulfonamide
CID 143141951
3-ethyl-4-hydrazinyl-N,N-dimethylundecan-3-amine
CID 105241689
1-hydrazinyl-N,N,2,2-tetramethylpropan-1-amine
CID 116914826
(6-methoxy-2,2,6-trimethylheptan-3-yl)hydrazine
CID 103026262
2-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutane-1,2-diamine
CID 65384160
2-amino-2-methyl-4-[[methyl(sulfino)amino]methyl]hexane
CID 175620647

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylethanesulfinamide?
The IUPAC name of N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylethanesulfinamide (CID 143141964) is N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylethanesulfinamide.
What is the SMILES notation for N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylethanesulfinamide?
The canonical SMILES for N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylethanesulfinamide is CCS(=O)N(C)C[C@@H](NN)C(C)(C)C.
What is the InChIKey of N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylethanesulfinamide?
The InChIKey is YSGYIUPVUIDTIQ-ZSYIFEHUSA-N. The full InChI is InChI=1S/C9H23N3OS/c1-6-14(13)12(5)7-8(11-10)9(2,3)4/h8,11H,6-7,10H2,1-5H3/t8-,14?/m1/s1.
What are the key properties of N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylethanesulfinamide?
N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylethanesulfinamide has a molecular weight of 221.37 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydrazinyl-3,3-dimethylbutyl]-N-methylethanesulfinamide is sourced from PubChem (CID 143141964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).