(2S)-N,2-dimethyl-3-methylsulfanyl-N-prop-1-en-2-ylpropan-1-amine

C9H19NS — CID 174098200

IUPAC(2S)-N,2-dimethyl-3-methylsulfanyl-N-prop-1-en-2-ylpropan-1-amine
SMILESC=C(C)N(C)C[C@H](C)CSC
InChIInChI=1S/C9H19NS/c1-8(2)10(4)6-9(3)7-11-5/h9H,1,6-7H2,2-5H3/t9-/m0/s1
InChIKeyXSYHJMSLWWMWQY-VIFPVBQESA-N
MW173.32 g/mol
LogP2.45
Rot. Bonds5

About (2S)-N,2-dimethyl-3-methylsulfanyl-N-prop-1-en-2-ylpropan-1-amine

(2S)-N,2-dimethyl-3-methylsulfanyl-N-prop-1-en-2-ylpropan-1-amine (PubChem CID 174098200) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is (2S)-N,2-dimethyl-3-methylsulfanyl-N-prop-1-en-2-ylpropan-1-amine.

Molecular Properties

Compound Name(2S)-N,2-dimethyl-3-methylsulfanyl-N-prop-1-en-2-ylpropan-1-amine
PubChem CID174098200
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name(2S)-N,2-dimethyl-3-methylsulfanyl-N-prop-1-en-2-ylpropan-1-amine
SMILESC=C(C)N(C)C[C@H](C)CSC
InChIInChI=1S/C9H19NS/c1-8(2)10(4)6-9(3)7-11-5/h9H,1,6-7H2,2-5H3/t9-/m0/s1
InChIKeyXSYHJMSLWWMWQY-VIFPVBQESA-N
XLogP2.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-dimethyl-3-methylsulfanyl-N-prop-1-en-2-ylpropan-1-amine?
The IUPAC name of (2S)-N,2-dimethyl-3-methylsulfanyl-N-prop-1-en-2-ylpropan-1-amine (CID 174098200) is (2S)-N,2-dimethyl-3-methylsulfanyl-N-prop-1-en-2-ylpropan-1-amine.
What is the SMILES notation for (2S)-N,2-dimethyl-3-methylsulfanyl-N-prop-1-en-2-ylpropan-1-amine?
The canonical SMILES for (2S)-N,2-dimethyl-3-methylsulfanyl-N-prop-1-en-2-ylpropan-1-amine is C=C(C)N(C)C[C@H](C)CSC.
What is the InChIKey of (2S)-N,2-dimethyl-3-methylsulfanyl-N-prop-1-en-2-ylpropan-1-amine?
The InChIKey is XSYHJMSLWWMWQY-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19NS/c1-8(2)10(4)6-9(3)7-11-5/h9H,1,6-7H2,2-5H3/t9-/m0/s1.
What are the key properties of (2S)-N,2-dimethyl-3-methylsulfanyl-N-prop-1-en-2-ylpropan-1-amine?
(2S)-N,2-dimethyl-3-methylsulfanyl-N-prop-1-en-2-ylpropan-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2-dimethyl-3-methylsulfanyl-N-prop-1-en-2-ylpropan-1-amine is sourced from PubChem (CID 174098200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).