N-methyl-1-propan-2-ylsulfanylpropan-2-amine

C7H17NS — CID 64632461

IUPACN-methyl-1-propan-2-ylsulfanylpropan-2-amine
SMILESCNC(C)CSC(C)C
InChIInChI=1S/C7H17NS/c1-6(2)9-5-7(3)8-4/h6-8H,5H2,1-4H3
InChIKeyVEZYBKLLMQQTOT-UHFFFAOYSA-N
MW147.29 g/mol
LogP1.74
Rot. Bonds4

About N-methyl-1-propan-2-ylsulfanylpropan-2-amine

N-methyl-1-propan-2-ylsulfanylpropan-2-amine (PubChem CID 64632461) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is N-methyl-1-propan-2-ylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-1-propan-2-ylsulfanylpropan-2-amine
PubChem CID64632461
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC NameN-methyl-1-propan-2-ylsulfanylpropan-2-amine
SMILESCNC(C)CSC(C)C
InChIInChI=1S/C7H17NS/c1-6(2)9-5-7(3)8-4/h6-8H,5H2,1-4H3
InChIKeyVEZYBKLLMQQTOT-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-ylsulfanylpropan-2-amine?
The IUPAC name of N-methyl-1-propan-2-ylsulfanylpropan-2-amine (CID 64632461) is N-methyl-1-propan-2-ylsulfanylpropan-2-amine.
What is the SMILES notation for N-methyl-1-propan-2-ylsulfanylpropan-2-amine?
The canonical SMILES for N-methyl-1-propan-2-ylsulfanylpropan-2-amine is CNC(C)CSC(C)C.
What is the InChIKey of N-methyl-1-propan-2-ylsulfanylpropan-2-amine?
The InChIKey is VEZYBKLLMQQTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-6(2)9-5-7(3)8-4/h6-8H,5H2,1-4H3.
What are the key properties of N-methyl-1-propan-2-ylsulfanylpropan-2-amine?
N-methyl-1-propan-2-ylsulfanylpropan-2-amine has a molecular weight of 147.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-ylsulfanylpropan-2-amine is sourced from PubChem (CID 64632461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).