N-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen

C6H15NS — CID 145167793

IUPACN-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen
SMILESCNCC1CCSC1.[H][H]
InChIInChI=1S/C6H13NS.H2/c1-7-4-6-2-3-8-5-6;/h6-7H,2-5H2,1H3;1H
InChIKeyUZPOIGFWUSVBBQ-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.20
Rot. Bonds2

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

N-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen (PubChem CID 145167793) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is N-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen.

Molecular Properties

Compound NameN-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen
PubChem CID145167793
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC NameN-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen
SMILESCNCC1CCSC1.[H][H]
InChIInChI=1S/C6H13NS.H2/c1-7-4-6-2-3-8-5-6;/h6-7H,2-5H2,1H3;1H
InChIKeyUZPOIGFWUSVBBQ-UHFFFAOYSA-N
XLogP1.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dimethyl-2-(thiolan-3-ylmethyl)hydrazine
CID 107132348
3-(2,2-dimethylpropyl)thiolane
CID 58797584
2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131923
(Z)-N-methyl-4-(thiolan-3-yl)but-2-en-1-amine
CID 117265727
1-cyclopentyl-N-methylmethanamine;molecular hydrogen
CID 142969533
4-(thiolan-3-ylmethylamino)cyclohexan-1-ol
CID 107131200
thiolan-3-ylmethylcyanamide
CID 107295841
1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine
CID 107131394
1-(methylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide
CID 106089112
5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine
CID 107132315
2,2-difluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine
CID 105449352
3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107131174

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen?
The IUPAC name of N-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen (CID 145167793) is N-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen.
What is the SMILES notation for N-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen?
The canonical SMILES for N-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen is CNCC1CCSC1.[H][H].
What is the InChIKey of N-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen?
The InChIKey is UZPOIGFWUSVBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS.H2/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;molecular hydrogen?
N-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen has a molecular weight of 133.26 g/mol, XLogP of 1.20, 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;molecular hydrogen is sourced from PubChem (CID 145167793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).