3-(aminomethyl)-N-ethyl-N-propan-2-ylthiolan-3-amine

C10H22N2S — CID 43265606

IUPAC3-(aminomethyl)-N-ethyl-N-propan-2-ylthiolan-3-amine
SMILESCCN(C(C)C)C1(CN)CCSC1
InChIInChI=1S/C10H22N2S/c1-4-12(9(2)3)10(7-11)5-6-13-8-10/h9H,4-8,11H2,1-3H3
InChIKeySJRJGEKGOKRMRB-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.55
Rot. Bonds4

About 3-(aminomethyl)-N-ethyl-N-propan-2-ylthiolan-3-amine

3-(aminomethyl)-N-ethyl-N-propan-2-ylthiolan-3-amine (PubChem CID 43265606) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-N-propan-2-ylthiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-N-propan-2-ylthiolan-3-amine
PubChem CID43265606
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name3-(aminomethyl)-N-ethyl-N-propan-2-ylthiolan-3-amine
SMILESCCN(C(C)C)C1(CN)CCSC1
InChIInChI=1S/C10H22N2S/c1-4-12(9(2)3)10(7-11)5-6-13-8-10/h9H,4-8,11H2,1-3H3
InChIKeySJRJGEKGOKRMRB-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N-ethyl-N-propan-2-ylthiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
N,N-dimethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
CID 53910332
N-ethyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine
CID 53930399
4-(ethylsulfanylmethyl)-N-methylpyrrolidin-3-amine
CID 53964468
3-(Aminomethyl)-3-(N,N-dimethylamino)tetramethylene Sulfoxide
CID 67060899
N'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine
CID 70458048
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

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-N-propan-2-ylthiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-ethyl-N-propan-2-ylthiolan-3-amine (CID 43265606) is 3-(aminomethyl)-N-ethyl-N-propan-2-ylthiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-N-propan-2-ylthiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-N-propan-2-ylthiolan-3-amine is CCN(C(C)C)C1(CN)CCSC1.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-N-propan-2-ylthiolan-3-amine?
The InChIKey is SJRJGEKGOKRMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-4-12(9(2)3)10(7-11)5-6-13-8-10/h9H,4-8,11H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-N-propan-2-ylthiolan-3-amine?
3-(aminomethyl)-N-ethyl-N-propan-2-ylthiolan-3-amine has a molecular weight of 202.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-N-propan-2-ylthiolan-3-amine is sourced from PubChem (CID 43265606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).