N-methyl-1-(thian-2-yl)methanamine

C7H15NS — CID 80593784

IUPACN-methyl-1-(thian-2-yl)methanamine
SMILESCNCC1CCCCS1
InChIInChI=1S/C7H15NS/c1-8-6-7-4-2-3-5-9-7/h7-8H,2-6H2,1H3
InChIKeyVAMFAXSCJLVTLL-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.49
Rot. Bonds2

About N-methyl-1-(thian-2-yl)methanamine

N-methyl-1-(thian-2-yl)methanamine (PubChem CID 80593784) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is N-methyl-1-(thian-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(thian-2-yl)methanamine
PubChem CID80593784
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC NameN-methyl-1-(thian-2-yl)methanamine
SMILESCNCC1CCCCS1
InChIInChI=1S/C7H15NS/c1-8-6-7-4-2-3-5-9-7/h7-8H,2-6H2,1H3
InChIKeyVAMFAXSCJLVTLL-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(thian-2-ylmethyl)cyclobutanamine
CID 80599941
2-methyl-N-(thian-2-ylmethyl)propan-1-amine
CID 80593621
methyl 2-(thian-2-ylmethylamino)acetate
CID 80600319
2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine
CID 102672978
3-(thian-2-ylmethylamino)butan-2-ol
CID 80600593
(2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine
CID 104867949
2-(thian-2-ylmethylamino)ethanol
CID 80601199
N-[(4-methylphenyl)methyl]-1-(thian-2-yl)methanamine
CID 80600045
5-(methylaminomethyl)-N-(thian-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106963272
N-(thian-2-ylmethyl)hexan-1-amine
CID 80600552
1-cyclopropyl-N-(thian-2-ylmethyl)propan-2-amine
CID 104537124
2-(methylamino)-N-(thiolan-2-ylmethyl)acetamide
CID 80584517

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(thian-2-yl)methanamine?
The IUPAC name of N-methyl-1-(thian-2-yl)methanamine (CID 80593784) is N-methyl-1-(thian-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(thian-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(thian-2-yl)methanamine is CNCC1CCCCS1.
What is the InChIKey of N-methyl-1-(thian-2-yl)methanamine?
The InChIKey is VAMFAXSCJLVTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-8-6-7-4-2-3-5-9-7/h7-8H,2-6H2,1H3.
What are the key properties of N-methyl-1-(thian-2-yl)methanamine?
N-methyl-1-(thian-2-yl)methanamine has a molecular weight of 145.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(thian-2-yl)methanamine is sourced from PubChem (CID 80593784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).