N-methylsulfanyl-1-(oxan-3-yl)methanamine

C7H15NOS — CID 123744693

IUPACN-methylsulfanyl-1-(oxan-3-yl)methanamine
SMILESCSNCC1CCCOC1
InChIInChI=1S/C7H15NOS/c1-10-8-5-7-3-2-4-9-6-7/h7-8H,2-6H2,1H3
InChIKeyXTDLWAQKICFGCC-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.28
Rot. Bonds3

About N-methylsulfanyl-1-(oxan-3-yl)methanamine

N-methylsulfanyl-1-(oxan-3-yl)methanamine (PubChem CID 123744693) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is N-methylsulfanyl-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-methylsulfanyl-1-(oxan-3-yl)methanamine
PubChem CID123744693
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC NameN-methylsulfanyl-1-(oxan-3-yl)methanamine
SMILESCSNCC1CCCOC1
InChIInChI=1S/C7H15NOS/c1-10-8-5-7-3-2-4-9-6-7/h7-8H,2-6H2,1H3
InChIKeyXTDLWAQKICFGCC-UHFFFAOYSA-N
XLogP1.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
1-methyl-3-(oxan-3-ylmethyl)urea
CID 115588448
1-methyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
CID 63739507
N-(oxan-3-ylmethyl)butan-1-amine
CID 61020591
1-(dimethylamino)-3-(oxan-3-ylmethylamino)propan-2-ol
CID 61020835
1-ethyl-N-(oxan-3-ylmethyl)cyclobutan-1-amine
CID 115907989
4-methyl-N-(oxan-3-ylmethyl)pentan-2-amine
CID 61020127
2,6-dimethyl-N-(oxan-3-ylmethyl)piperidin-1-amine
CID 83007500
2-methyl-N-(oxan-3-ylmethyl)oxolan-3-amine
CID 115336064
1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine
CID 115710920
2-cyclopentyl-N-(oxan-3-ylmethyl)ethanamine
CID 63741099

Frequently Asked Questions

What is the IUPAC name of N-methylsulfanyl-1-(oxan-3-yl)methanamine?
The IUPAC name of N-methylsulfanyl-1-(oxan-3-yl)methanamine (CID 123744693) is N-methylsulfanyl-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-methylsulfanyl-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-methylsulfanyl-1-(oxan-3-yl)methanamine is CSNCC1CCCOC1.
What is the InChIKey of N-methylsulfanyl-1-(oxan-3-yl)methanamine?
The InChIKey is XTDLWAQKICFGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-10-8-5-7-3-2-4-9-6-7/h7-8H,2-6H2,1H3.
What are the key properties of N-methylsulfanyl-1-(oxan-3-yl)methanamine?
N-methylsulfanyl-1-(oxan-3-yl)methanamine has a molecular weight of 161.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfanyl-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 123744693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).