N-tert-butyl-2-ethylsulfanyl-2-methylpropan-1-amine

C10H23NS — CID 167022927

IUPACN-tert-butyl-2-ethylsulfanyl-2-methylpropan-1-amine
SMILESCCSC(C)(C)CNC(C)(C)C
InChIInChI=1S/C10H23NS/c1-7-12-10(5,6)8-11-9(2,3)4/h11H,7-8H2,1-6H3
InChIKeyTXUGHCQMVMQMCK-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.91
Rot. Bonds4

About N-tert-butyl-2-ethylsulfanyl-2-methylpropan-1-amine

N-tert-butyl-2-ethylsulfanyl-2-methylpropan-1-amine (PubChem CID 167022927) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is N-tert-butyl-2-ethylsulfanyl-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethylsulfanyl-2-methylpropan-1-amine
PubChem CID167022927
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC NameN-tert-butyl-2-ethylsulfanyl-2-methylpropan-1-amine
SMILESCCSC(C)(C)CNC(C)(C)C
InChIInChI=1S/C10H23NS/c1-7-12-10(5,6)8-11-9(2,3)4/h11H,7-8H2,1-6H3
InChIKeyTXUGHCQMVMQMCK-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethylsulfanyl-2-methylpropan-1-amine?
The IUPAC name of N-tert-butyl-2-ethylsulfanyl-2-methylpropan-1-amine (CID 167022927) is N-tert-butyl-2-ethylsulfanyl-2-methylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethylsulfanyl-2-methylpropan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethylsulfanyl-2-methylpropan-1-amine is CCSC(C)(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-ethylsulfanyl-2-methylpropan-1-amine?
The InChIKey is TXUGHCQMVMQMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-7-12-10(5,6)8-11-9(2,3)4/h11H,7-8H2,1-6H3.
What are the key properties of N-tert-butyl-2-ethylsulfanyl-2-methylpropan-1-amine?
N-tert-butyl-2-ethylsulfanyl-2-methylpropan-1-amine has a molecular weight of 189.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethylsulfanyl-2-methylpropan-1-amine is sourced from PubChem (CID 167022927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).