2-methylpentan-3-yl (1Z)-N-aminomethanimidothioate

C7H16N2S — CID 155465292

IUPAC2-methylpentan-3-yl (1Z)-N-aminomethanimidothioate
SMILESCCC(S/C=N\N)C(C)C
InChIInChI=1S/C7H16N2S/c1-4-7(6(2)3)10-5-9-8/h5-7H,4,8H2,1-3H3/b9-5-
InChIKeySEQVREHNLDPIAB-UITAMQMPSA-N
MW160.29 g/mol
LogP2.06
Rot. Bonds4

About 2-methylpentan-3-yl (1Z)-N-aminomethanimidothioate

2-methylpentan-3-yl (1Z)-N-aminomethanimidothioate (PubChem CID 155465292) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is 2-methylpentan-3-yl (1Z)-N-aminomethanimidothioate.

Molecular Properties

Compound Name2-methylpentan-3-yl (1Z)-N-aminomethanimidothioate
PubChem CID155465292
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name2-methylpentan-3-yl (1Z)-N-aminomethanimidothioate
SMILESCCC(S/C=N\N)C(C)C
InChIInChI=1S/C7H16N2S/c1-4-7(6(2)3)10-5-9-8/h5-7H,4,8H2,1-3H3/b9-5-
InChIKeySEQVREHNLDPIAB-UITAMQMPSA-N
XLogP2.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;3-(ethyldisulfanyl)-2-methylpentane
CID 169267094
(Z)-2-ethylbutylidenehydrazine
CID 101206874
but-1-ene;2-methylbutane
CID 142013560
(4S)-4-ethyl-2,5-dimethylhex-2-ene
CID 59076460
3-methyl-4-(4-methylhexan-3-ylsulfanyl)hexane
CID 141282649
3-(3-methylbutan-2-ylsulfanyl)heptan-4-amine
CID 107763412
ethyl 2-chloro-3-methanehydrazonoylsulfanylpropanoate
CID 71380386
2,3-dimethylbutane;ethanamine
CID 130404430
N'-butan-2-ylmethanimidamide
CID 13225428
2-methylbutyl N-methylmethanimidothioate
CID 135141123
2-methyl-N-prop-2-enylpentan-3-amine
CID 43755389
methyl N-(2-methylbutyl)methanimidothioate
CID 123835889

Frequently Asked Questions

What is the IUPAC name of 2-methylpentan-3-yl (1Z)-N-aminomethanimidothioate?
The IUPAC name of 2-methylpentan-3-yl (1Z)-N-aminomethanimidothioate (CID 155465292) is 2-methylpentan-3-yl (1Z)-N-aminomethanimidothioate.
What is the SMILES notation for 2-methylpentan-3-yl (1Z)-N-aminomethanimidothioate?
The canonical SMILES for 2-methylpentan-3-yl (1Z)-N-aminomethanimidothioate is CCC(S/C=N\N)C(C)C.
What is the InChIKey of 2-methylpentan-3-yl (1Z)-N-aminomethanimidothioate?
The InChIKey is SEQVREHNLDPIAB-UITAMQMPSA-N. The full InChI is InChI=1S/C7H16N2S/c1-4-7(6(2)3)10-5-9-8/h5-7H,4,8H2,1-3H3/b9-5-.
What are the key properties of 2-methylpentan-3-yl (1Z)-N-aminomethanimidothioate?
2-methylpentan-3-yl (1Z)-N-aminomethanimidothioate has a molecular weight of 160.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-3-yl (1Z)-N-aminomethanimidothioate is sourced from PubChem (CID 155465292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).