N-methyl-N-(3-methylbutan-2-yl)thian-4-amine

C11H23NS — CID 131067370

IUPACN-methyl-N-(3-methylbutan-2-yl)thian-4-amine
SMILESCC(C)C(C)N(C)C1CCSCC1
InChIInChI=1S/C11H23NS/c1-9(2)10(3)12(4)11-5-7-13-8-6-11/h9-11H,5-8H2,1-4H3
InChIKeyRFKIFWZPIRMZDU-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.86
Rot. Bonds3

About N-methyl-N-(3-methylbutan-2-yl)thian-4-amine

N-methyl-N-(3-methylbutan-2-yl)thian-4-amine (PubChem CID 131067370) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutan-2-yl)thian-4-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutan-2-yl)thian-4-amine
PubChem CID131067370
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-methyl-N-(3-methylbutan-2-yl)thian-4-amine
SMILESCC(C)C(C)N(C)C1CCSCC1
InChIInChI=1S/C11H23NS/c1-9(2)10(3)12(4)11-5-7-13-8-6-11/h9-11H,5-8H2,1-4H3
InChIKeyRFKIFWZPIRMZDU-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-4-(3-methylbutyl)thiomorpholine
CID 130726719
3-Ethyl-2,4-dimethylthiomorpholine
CID 12517922
2-Methyl-3.4-diathyl-thiomorpholin
CID 12517923
N-(2-fluoroethyl)-N-methylthian-3-amine
CID 131160446
3-Ethyl-2-propan-2-yl-1,3-thiazinane
CID 12634519
1-[2-(2-Methylpropylsulfanyl)ethyl]piperidine
CID 13668932
1-[5-(3-Methylbutylsulfanyl)pentyl]piperidine
CID 18965262
1-[3-(3-Methylbutylsulfanyl)propyl]piperidine
CID 18965269
2,2,3,3,4,5-Hexamethylthiomorpholine
CID 20476626
2,2,3,4-Tetramethylthiomorpholine
CID 20616142
4-Methyl-1-(thian-4-yl)piperidine
CID 20758867
1-[1-(3-Methylbutylsulfanyl)pentan-2-yl]piperidine
CID 21695990

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutan-2-yl)thian-4-amine?
The IUPAC name of N-methyl-N-(3-methylbutan-2-yl)thian-4-amine (CID 131067370) is N-methyl-N-(3-methylbutan-2-yl)thian-4-amine.
What is the SMILES notation for N-methyl-N-(3-methylbutan-2-yl)thian-4-amine?
The canonical SMILES for N-methyl-N-(3-methylbutan-2-yl)thian-4-amine is CC(C)C(C)N(C)C1CCSCC1.
What is the InChIKey of N-methyl-N-(3-methylbutan-2-yl)thian-4-amine?
The InChIKey is RFKIFWZPIRMZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-9(2)10(3)12(4)11-5-7-13-8-6-11/h9-11H,5-8H2,1-4H3.
What are the key properties of N-methyl-N-(3-methylbutan-2-yl)thian-4-amine?
N-methyl-N-(3-methylbutan-2-yl)thian-4-amine has a molecular weight of 201.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutan-2-yl)thian-4-amine is sourced from PubChem (CID 131067370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).