N-methylthiolan-3-amine

C5H11NS — CID 16793953

IUPACN-methylthiolan-3-amine
SMILESCNC1CCSC1
InChIInChI=1S/C5H11NS/c1-6-5-2-3-7-4-5/h5-6H,2-4H2,1H3
InChIKeyZRMIZYDPXOJIRT-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.71
Rot. Bonds1

About N-methylthiolan-3-amine

N-methylthiolan-3-amine (PubChem CID 16793953) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-methylthiolan-3-amine
PubChem CID16793953
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC NameN-methylthiolan-3-amine
SMILESCNC1CCSC1
InChIInChI=1S/C5H11NS/c1-6-5-2-3-7-4-5/h5-6H,2-4H2,1H3
InChIKeyZRMIZYDPXOJIRT-UHFFFAOYSA-N
XLogP0.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethylthiazolidine
CID 146884
2,2-Ethylmethylthiazolidine
CID 568373
2,2-Diethylthiazolidine
CID 69837
2-Ethyl-5-methyl-1,3-thiazolidine
CID 3067679
Thiolan-3-amine
CID 522918
Methyl[1-(methylsulfanyl)butan-2-yl]amine
CID 20715135
2,2,5-Trimethyl-thiazolidine
CID 547147
(2S)-2-[(methylsulfanyl)methyl]pyrrolidine
CID 7022767
2,2,4-Trimethylthiazolidine
CID 19987796
4-Methyl-1,3-thiazolidine
CID 21352170
2,4,5-Trimethyl-1,3-thiazolidine
CID 89284281
(2R)-2-[(methylsulfanyl)methyl]pyrrolidine
CID 7141588

Frequently Asked Questions

What is the IUPAC name of N-methylthiolan-3-amine?
The IUPAC name of N-methylthiolan-3-amine (CID 16793953) is N-methylthiolan-3-amine.
What is the SMILES notation for N-methylthiolan-3-amine?
The canonical SMILES for N-methylthiolan-3-amine is CNC1CCSC1.
What is the InChIKey of N-methylthiolan-3-amine?
The InChIKey is ZRMIZYDPXOJIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-6-5-2-3-7-4-5/h5-6H,2-4H2,1H3.
What are the key properties of N-methylthiolan-3-amine?
N-methylthiolan-3-amine has a molecular weight of 117.22 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylthiolan-3-amine is sourced from PubChem (CID 16793953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).