(2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine

C9H19NS2 — CID 124674576

IUPAC(2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine
SMILESCSC[C@H](C)NC[C@@H]1CCSC1
InChIInChI=1S/C9H19NS2/c1-8(6-11-2)10-5-9-3-4-12-7-9/h8-10H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyZVKBENWWYRROMX-IUCAKERBSA-N
MW205.39 g/mol
LogP2.08
Rot. Bonds5

About (2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine

(2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine (PubChem CID 124674576) has the molecular formula C9H19NS2 and a molecular weight of 205.39 g/mol. Its IUPAC name is (2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine
PubChem CID124674576
Molecular FormulaC9H19NS2
Molecular Weight205.39 g/mol
Exact Mass205.10
IUPAC Name(2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine
SMILESCSC[C@H](C)NC[C@@H]1CCSC1
InChIInChI=1S/C9H19NS2/c1-8(6-11-2)10-5-9-3-4-12-7-9/h8-10H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyZVKBENWWYRROMX-IUCAKERBSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine
CID 107132179
(1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107132288
3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine
CID 107295324
1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107132041
4-[2-(thiolan-3-ylmethylamino)propyl]phenol
CID 107166188
1-(2-methylphenyl)-N-(thiolan-3-ylmethyl)propan-2-amine
CID 107131856
2-N-(thian-4-ylmethyl)propane-1,2-diamine
CID 103391033
1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine
CID 107131787
(1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132261
ethyl 2-(thiolan-3-ylmethylamino)propanoate
CID 107131969
1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine
CID 107166673
3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107131174

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine?
The IUPAC name of (2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine (CID 124674576) is (2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for (2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine is CSC[C@H](C)NC[C@@H]1CCSC1.
What is the InChIKey of (2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine?
The InChIKey is ZVKBENWWYRROMX-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NS2/c1-8(6-11-2)10-5-9-3-4-12-7-9/h8-10H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine?
(2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine has a molecular weight of 205.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 124674576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).