N'-ethylsulfanyl-N,N-di(propan-2-yl)ethanimidamide

C10H22N2S — CID 123301072

IUPACN'-ethylsulfanyl-N,N-di(propan-2-yl)ethanimidamide
SMILESCCSN=C(C)N(C(C)C)C(C)C
InChIInChI=1S/C10H22N2S/c1-7-13-11-10(6)12(8(2)3)9(4)5/h8-9H,7H2,1-6H3
InChIKeyDOSQGGWWTAFQGW-UHFFFAOYSA-N
MW202.37 g/mol
LogP3.19
Rot. Bonds4

About N'-ethylsulfanyl-N,N-di(propan-2-yl)ethanimidamide

N'-ethylsulfanyl-N,N-di(propan-2-yl)ethanimidamide (PubChem CID 123301072) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is N'-ethylsulfanyl-N,N-di(propan-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-ethylsulfanyl-N,N-di(propan-2-yl)ethanimidamide
PubChem CID123301072
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC NameN'-ethylsulfanyl-N,N-di(propan-2-yl)ethanimidamide
SMILESCCSN=C(C)N(C(C)C)C(C)C
InChIInChI=1S/C10H22N2S/c1-7-13-11-10(6)12(8(2)3)9(4)5/h8-9H,7H2,1-6H3
InChIKeyDOSQGGWWTAFQGW-UHFFFAOYSA-N
XLogP3.19
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
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': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol
CID 156751234

Frequently Asked Questions

What is the IUPAC name of N'-ethylsulfanyl-N,N-di(propan-2-yl)ethanimidamide?
The IUPAC name of N'-ethylsulfanyl-N,N-di(propan-2-yl)ethanimidamide (CID 123301072) is N'-ethylsulfanyl-N,N-di(propan-2-yl)ethanimidamide.
What is the SMILES notation for N'-ethylsulfanyl-N,N-di(propan-2-yl)ethanimidamide?
The canonical SMILES for N'-ethylsulfanyl-N,N-di(propan-2-yl)ethanimidamide is CCSN=C(C)N(C(C)C)C(C)C.
What is the InChIKey of N'-ethylsulfanyl-N,N-di(propan-2-yl)ethanimidamide?
The InChIKey is DOSQGGWWTAFQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-7-13-11-10(6)12(8(2)3)9(4)5/h8-9H,7H2,1-6H3.
What are the key properties of N'-ethylsulfanyl-N,N-di(propan-2-yl)ethanimidamide?
N'-ethylsulfanyl-N,N-di(propan-2-yl)ethanimidamide has a molecular weight of 202.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylsulfanyl-N,N-di(propan-2-yl)ethanimidamide is sourced from PubChem (CID 123301072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).