N,N-dimethyl-1-(thian-4-yl)methanamine

C8H17NS — CID 145167824

IUPACN,N-dimethyl-1-(thian-4-yl)methanamine
SMILESCN(C)CC1CCSCC1
InChIInChI=1S/C8H17NS/c1-9(2)7-8-3-5-10-6-4-8/h8H,3-7H2,1-2H3
InChIKeyNWYOYSAXXYWHKE-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.69
Rot. Bonds2

About N,N-dimethyl-1-(thian-4-yl)methanamine

N,N-dimethyl-1-(thian-4-yl)methanamine (PubChem CID 145167824) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N,N-dimethyl-1-(thian-4-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(thian-4-yl)methanamine
PubChem CID145167824
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN,N-dimethyl-1-(thian-4-yl)methanamine
SMILESCN(C)CC1CCSCC1
InChIInChI=1S/C8H17NS/c1-9(2)7-8-3-5-10-6-4-8/h8H,3-7H2,1-2H3
InChIKeyNWYOYSAXXYWHKE-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Diethyl-4-(prop-2-yn-1-yl)thiomorpholine
CID 130677352
2,2-Dimethyl-4-(3-methylbutyl)thiomorpholine
CID 130726719
4-(2-Methylpentyl)thiomorpholine
CID 134994483
1-[2-(2-Methylpropylsulfanyl)ethyl]piperidine
CID 13668932
1-[5-(3-Methylbutylsulfanyl)pentyl]piperidine
CID 18965262
1-[3-(3-Methylbutylsulfanyl)propyl]piperidine
CID 18965269
1-[1-(3-Methylbutylsulfanyl)pentan-2-yl]piperidine
CID 21695990
1-[1-(3-Methylbutylsulfanyl)propan-2-yl]piperidine
CID 21695994
4-Methyl-2-propan-2-ylthiomorpholine
CID 57305038
4-ethyl-N,N-dimethylthian-4-amine
CID 57570234
1,4-Dimethyl-4-methylsulfanylpiperidine
CID 57618944
1-Methyl-3-(methylsulfanylmethyl)piperidine
CID 58701366

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(thian-4-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(thian-4-yl)methanamine (CID 145167824) is N,N-dimethyl-1-(thian-4-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(thian-4-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(thian-4-yl)methanamine is CN(C)CC1CCSCC1.
What is the InChIKey of N,N-dimethyl-1-(thian-4-yl)methanamine?
The InChIKey is NWYOYSAXXYWHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-9(2)7-8-3-5-10-6-4-8/h8H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(thian-4-yl)methanamine?
N,N-dimethyl-1-(thian-4-yl)methanamine has a molecular weight of 159.30 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(thian-4-yl)methanamine is sourced from PubChem (CID 145167824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).