N-(1-ethylsulfanylethyl)-N-propan-2-ylpropan-2-amine

C10H23NS — CID 174507870

IUPACN-(1-ethylsulfanylethyl)-N-propan-2-ylpropan-2-amine
SMILESCCSC(C)N(C(C)C)C(C)C
InChIInChI=1S/C10H23NS/c1-7-12-10(6)11(8(2)3)9(4)5/h8-10H,7H2,1-6H3
InChIKeyBDIKGIIVZFZZEQ-UHFFFAOYSA-N
MW189.37 g/mol
LogP3.20
Rot. Bonds5

About N-(1-ethylsulfanylethyl)-N-propan-2-ylpropan-2-amine

N-(1-ethylsulfanylethyl)-N-propan-2-ylpropan-2-amine (PubChem CID 174507870) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is N-(1-ethylsulfanylethyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(1-ethylsulfanylethyl)-N-propan-2-ylpropan-2-amine
PubChem CID174507870
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC NameN-(1-ethylsulfanylethyl)-N-propan-2-ylpropan-2-amine
SMILESCCSC(C)N(C(C)C)C(C)C
InChIInChI=1S/C10H23NS/c1-7-12-10(6)11(8(2)3)9(4)5/h8-10H,7H2,1-6H3
InChIKeyBDIKGIIVZFZZEQ-UHFFFAOYSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylethyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-(1-ethylsulfanylethyl)-N-propan-2-ylpropan-2-amine (CID 174507870) is N-(1-ethylsulfanylethyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-(1-ethylsulfanylethyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-(1-ethylsulfanylethyl)-N-propan-2-ylpropan-2-amine is CCSC(C)N(C(C)C)C(C)C.
What is the InChIKey of N-(1-ethylsulfanylethyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is BDIKGIIVZFZZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-7-12-10(6)11(8(2)3)9(4)5/h8-10H,7H2,1-6H3.
What are the key properties of N-(1-ethylsulfanylethyl)-N-propan-2-ylpropan-2-amine?
N-(1-ethylsulfanylethyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 189.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylethyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 174507870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).