N-methyl-1-(thiolan-3-yl)methanamine;hydrochloride

C6H14ClNS — CID 171338235

IUPACN-methyl-1-(thiolan-3-yl)methanamine;hydrochloride
SMILESCNCC1CCSC1.Cl
InChIInChI=1S/C6H13NS.ClH/c1-7-4-6-2-3-8-5-6;/h6-7H,2-5H2,1H3;1H
InChIKeyFGPLDXSJFDTQMA-UHFFFAOYSA-N
MW167.70 g/mol
LogP1.38
Rot. Bonds2

About N-methyl-1-(thiolan-3-yl)methanamine;hydrochloride

N-methyl-1-(thiolan-3-yl)methanamine;hydrochloride (PubChem CID 171338235) has the molecular formula C6H14ClNS and a molecular weight of 167.70 g/mol. Its IUPAC name is N-methyl-1-(thiolan-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(thiolan-3-yl)methanamine;hydrochloride
PubChem CID171338235
Molecular FormulaC6H14ClNS
Molecular Weight167.70 g/mol
Exact Mass167.05
IUPAC NameN-methyl-1-(thiolan-3-yl)methanamine;hydrochloride
SMILESCNCC1CCSC1.Cl
InChIInChI=1S/C6H13NS.ClH/c1-7-4-6-2-3-8-5-6;/h6-7H,2-5H2,1H3;1H
InChIKeyFGPLDXSJFDTQMA-UHFFFAOYSA-N
XLogP1.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.70
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(thiolan-3-yl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-(thiolan-3-yl)methanamine;hydrochloride (CID 171338235) is N-methyl-1-(thiolan-3-yl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(thiolan-3-yl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(thiolan-3-yl)methanamine;hydrochloride is CNCC1CCSC1.Cl.
What is the InChIKey of N-methyl-1-(thiolan-3-yl)methanamine;hydrochloride?
The InChIKey is FGPLDXSJFDTQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS.ClH/c1-7-4-6-2-3-8-5-6;/h6-7H,2-5H2,1H3;1H.
What are the key properties of N-methyl-1-(thiolan-3-yl)methanamine;hydrochloride?
N-methyl-1-(thiolan-3-yl)methanamine;hydrochloride has a molecular weight of 167.70 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(thiolan-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 171338235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).