3-(aminomethyl)-N-methyl-N-propylthiolan-3-amine

C9H20N2S — CID 43271076

IUPAC3-(aminomethyl)-N-methyl-N-propylthiolan-3-amine
SMILESCCCN(C)C1(CN)CCSC1
InChIInChI=1S/C9H20N2S/c1-3-5-11(2)9(7-10)4-6-12-8-9/h3-8,10H2,1-2H3
InChIKeyCDJMSVWYKCLNBL-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.16
Rot. Bonds4

About 3-(aminomethyl)-N-methyl-N-propylthiolan-3-amine

3-(aminomethyl)-N-methyl-N-propylthiolan-3-amine (PubChem CID 43271076) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-propylthiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-propylthiolan-3-amine
PubChem CID43271076
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name3-(aminomethyl)-N-methyl-N-propylthiolan-3-amine
SMILESCCCN(C)C1(CN)CCSC1
InChIInChI=1S/C9H20N2S/c1-3-5-11(2)9(7-10)4-6-12-8-9/h3-8,10H2,1-2H3
InChIKeyCDJMSVWYKCLNBL-UHFFFAOYSA-N
XLogP1.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 114995668
3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 114996951
3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 2779827
4-(ethylsulfanylmethyl)-N,N-dimethylpyrrolidin-3-amine
CID 53776738
4-(aminomethyl)-N,N-dimethylthian-4-amine
CID 61563056
3-(Aminomethyl)-3-(N,N-dimethylamino)tetramethylene Sulfoxide
CID 67060899
N,N-dimethyl-3-[(propan-2-ylamino)methyl]thiolan-3-amine
CID 115906079
N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine
CID 130440236
N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine;ethane
CID 145087557
[(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium
CID 6932626
(3R)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 6932627
[(3S)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium
CID 6932628

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-propylthiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-propylthiolan-3-amine (CID 43271076) is 3-(aminomethyl)-N-methyl-N-propylthiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-propylthiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-propylthiolan-3-amine is CCCN(C)C1(CN)CCSC1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-propylthiolan-3-amine?
The InChIKey is CDJMSVWYKCLNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-3-5-11(2)9(7-10)4-6-12-8-9/h3-8,10H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-propylthiolan-3-amine?
3-(aminomethyl)-N-methyl-N-propylthiolan-3-amine has a molecular weight of 188.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-propylthiolan-3-amine is sourced from PubChem (CID 43271076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).