N-tert-butylsulfanyl-1-ethylcyclobutan-1-amine

C10H21NS — CID 170072420

IUPACN-tert-butylsulfanyl-1-ethylcyclobutan-1-amine
SMILESCCC1(NSC(C)(C)C)CCC1
InChIInChI=1S/C10H21NS/c1-5-10(7-6-8-10)11-12-9(2,3)4/h11H,5-8H2,1-4H3
InChIKeyJPEPQUJJYSJHMU-UHFFFAOYSA-N
MW187.35 g/mol
LogP3.36
Rot. Bonds3

About N-tert-butylsulfanyl-1-ethylcyclobutan-1-amine

N-tert-butylsulfanyl-1-ethylcyclobutan-1-amine (PubChem CID 170072420) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-tert-butylsulfanyl-1-ethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-tert-butylsulfanyl-1-ethylcyclobutan-1-amine
PubChem CID170072420
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-tert-butylsulfanyl-1-ethylcyclobutan-1-amine
SMILESCCC1(NSC(C)(C)C)CCC1
InChIInChI=1S/C10H21NS/c1-5-10(7-6-8-10)11-12-9(2,3)4/h11H,5-8H2,1-4H3
InChIKeyJPEPQUJJYSJHMU-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfanyl-1-ethylcyclobutan-1-amine?
The IUPAC name of N-tert-butylsulfanyl-1-ethylcyclobutan-1-amine (CID 170072420) is N-tert-butylsulfanyl-1-ethylcyclobutan-1-amine.
What is the SMILES notation for N-tert-butylsulfanyl-1-ethylcyclobutan-1-amine?
The canonical SMILES for N-tert-butylsulfanyl-1-ethylcyclobutan-1-amine is CCC1(NSC(C)(C)C)CCC1.
What is the InChIKey of N-tert-butylsulfanyl-1-ethylcyclobutan-1-amine?
The InChIKey is JPEPQUJJYSJHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-10(7-6-8-10)11-12-9(2,3)4/h11H,5-8H2,1-4H3.
What are the key properties of N-tert-butylsulfanyl-1-ethylcyclobutan-1-amine?
N-tert-butylsulfanyl-1-ethylcyclobutan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfanyl-1-ethylcyclobutan-1-amine is sourced from PubChem (CID 170072420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).