N'-methyl-N-propyl-N-sulfanylethanimidamide

C6H14N2S — CID 174331691

IUPACN'-methyl-N-propyl-N-sulfanylethanimidamide
SMILESCCCN(S)/C(C)=N/C
InChIInChI=1S/C6H14N2S/c1-4-5-8(9)6(2)7-3/h9H,4-5H2,1-3H3/b7-6+
InChIKeySXPFTTUSMMHEEB-VOTSOKGWSA-N
MW146.26 g/mol
LogP1.59
Rot. Bonds2

About N'-methyl-N-propyl-N-sulfanylethanimidamide

N'-methyl-N-propyl-N-sulfanylethanimidamide (PubChem CID 174331691) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is N'-methyl-N-propyl-N-sulfanylethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-propyl-N-sulfanylethanimidamide
PubChem CID174331691
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC NameN'-methyl-N-propyl-N-sulfanylethanimidamide
SMILESCCCN(S)/C(C)=N/C
InChIInChI=1S/C6H14N2S/c1-4-5-8(9)6(2)7-3/h9H,4-5H2,1-3H3/b7-6+
InChIKeySXPFTTUSMMHEEB-VOTSOKGWSA-N
XLogP1.59
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
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

Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-
CID 77953
1,2,3-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium
CID 499194
(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl) thiohypofluorite
CID 142051036
1-Ethyl-1,4,5,6-tetrahydro-2-methylpyrimidine
CID 12762324
2-Methyl-1-sulfanyl-4,5-dihydroimidazole
CID 20217693
2-methyl-1-sulfanyl-5,6-dihydro-4H-pyrimidine
CID 20217718
N,N'-dimethyl-N-propylethanimidamide
CID 20688203
N-ethyl-N,N'-dimethylpropanimidamide
CID 23550431
1,2-Dimethyl-4,5,6,7-tetrahydro-1,3-diazepine
CID 59417616
N'-ethyl-N-methyl-N-propylethanimidamide
CID 123496150
N'-methyl-N,N-dipropylethanimidamide
CID 139776669
ethane;N-ethyl-N'-methyl-N-propylethanimidamide
CID 142132277

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-propyl-N-sulfanylethanimidamide?
The IUPAC name of N'-methyl-N-propyl-N-sulfanylethanimidamide (CID 174331691) is N'-methyl-N-propyl-N-sulfanylethanimidamide.
What is the SMILES notation for N'-methyl-N-propyl-N-sulfanylethanimidamide?
The canonical SMILES for N'-methyl-N-propyl-N-sulfanylethanimidamide is CCCN(S)/C(C)=N/C.
What is the InChIKey of N'-methyl-N-propyl-N-sulfanylethanimidamide?
The InChIKey is SXPFTTUSMMHEEB-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H14N2S/c1-4-5-8(9)6(2)7-3/h9H,4-5H2,1-3H3/b7-6+.
What are the key properties of N'-methyl-N-propyl-N-sulfanylethanimidamide?
N'-methyl-N-propyl-N-sulfanylethanimidamide has a molecular weight of 146.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-propyl-N-sulfanylethanimidamide is sourced from PubChem (CID 174331691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).