N'-tert-butyl-3-sulfanylpropanimidamide

C7H16N2S — CID 146352417

IUPACN'-tert-butyl-3-sulfanylpropanimidamide
SMILESCC(C)(C)/N=C(/N)CCS
InChIInChI=1S/C7H16N2S/c1-7(2,3)9-6(8)4-5-10/h10H,4-5H2,1-3H3,(H2,8,9)
InChIKeyVBXNGAPARPIXCO-UHFFFAOYSA-N
MW160.29 g/mol
LogP1.46
Rot. Bonds2

About N'-tert-butyl-3-sulfanylpropanimidamide

N'-tert-butyl-3-sulfanylpropanimidamide (PubChem CID 146352417) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is N'-tert-butyl-3-sulfanylpropanimidamide.

Molecular Properties

Compound NameN'-tert-butyl-3-sulfanylpropanimidamide
PubChem CID146352417
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC NameN'-tert-butyl-3-sulfanylpropanimidamide
SMILESCC(C)(C)/N=C(/N)CCS
InChIInChI=1S/C7H16N2S/c1-7(2,3)9-6(8)4-5-10/h10H,4-5H2,1-3H3,(H2,8,9)
InChIKeyVBXNGAPARPIXCO-UHFFFAOYSA-N
XLogP1.46
TPSA38.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N'-tert-butylethanimidamide
CID 152854790
N'-tert-butyl-2-(tert-butylamino)ethanimidamide
CID 59404200
N'-tert-butyl-2-(ethylamino)ethanimidamide
CID 89014107
N'-(2,2-dimethylpropyl)-4-sulfanylbutanimidamide;hydrochloride
CID 90668660
methyl N'-tert-butylcarbamimidate
CID 13222079
1-amino-2-tert-butylguanidine
CID 13451339
CID 160706499
CID 160706499
N'-tert-butylazocane-1-carboximidamide
CID 62361042
[2,2-dimethyl-3-(3-sulfanylpropanoyloxy)propyl] 3-sulfanylpropanoate
CID 19743124
(N-tert-butyl-C-ethylcarbonimidoyl)-[2-(dimethylamino)ethyl]azanide;nickel
CID 153452869
N'-(2,4,4,5,5-pentamethylhexan-2-yl)propanimidamide
CID 155177418
N'-tert-butyl-4-methylpiperazine-1-carboximidamide
CID 62361022

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-3-sulfanylpropanimidamide?
The IUPAC name of N'-tert-butyl-3-sulfanylpropanimidamide (CID 146352417) is N'-tert-butyl-3-sulfanylpropanimidamide.
What is the SMILES notation for N'-tert-butyl-3-sulfanylpropanimidamide?
The canonical SMILES for N'-tert-butyl-3-sulfanylpropanimidamide is CC(C)(C)/N=C(/N)CCS.
What is the InChIKey of N'-tert-butyl-3-sulfanylpropanimidamide?
The InChIKey is VBXNGAPARPIXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-7(2,3)9-6(8)4-5-10/h10H,4-5H2,1-3H3,(H2,8,9).
What are the key properties of N'-tert-butyl-3-sulfanylpropanimidamide?
N'-tert-butyl-3-sulfanylpropanimidamide has a molecular weight of 160.29 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3-sulfanylpropanimidamide is sourced from PubChem (CID 146352417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).