N,N,2-trimethyl-1-methylsulfanylpropan-2-amine

C7H17NS — CID 12768931

IUPACN,N,2-trimethyl-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)(C)N(C)C
InChIInChI=1S/C7H17NS/c1-7(2,6-9-5)8(3)4/h6H2,1-5H3
InChIKeyUCLJEGSEEOETPP-UHFFFAOYSA-N
MW147.29 g/mol
LogP1.69
Rot. Bonds3

About N,N,2-trimethyl-1-methylsulfanylpropan-2-amine

N,N,2-trimethyl-1-methylsulfanylpropan-2-amine (PubChem CID 12768931) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is N,N,2-trimethyl-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-1-methylsulfanylpropan-2-amine
PubChem CID12768931
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC NameN,N,2-trimethyl-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)(C)N(C)C
InChIInChI=1S/C7H17NS/c1-7(2,6-9-5)8(3)4/h6H2,1-5H3
InChIKeyUCLJEGSEEOETPP-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-methylsulfanylpropan-2-amine?
The IUPAC name of N,N,2-trimethyl-1-methylsulfanylpropan-2-amine (CID 12768931) is N,N,2-trimethyl-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N,N,2-trimethyl-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N,N,2-trimethyl-1-methylsulfanylpropan-2-amine is CSCC(C)(C)N(C)C.
What is the InChIKey of N,N,2-trimethyl-1-methylsulfanylpropan-2-amine?
The InChIKey is UCLJEGSEEOETPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-7(2,6-9-5)8(3)4/h6H2,1-5H3.
What are the key properties of N,N,2-trimethyl-1-methylsulfanylpropan-2-amine?
N,N,2-trimethyl-1-methylsulfanylpropan-2-amine has a molecular weight of 147.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 12768931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).