3-(aminomethyl)-N,2-dimethyl-N-(oxan-4-ylmethyl)thiolan-3-amine

C13H26N2OS — CID 114080149

IUPAC3-(aminomethyl)-N,2-dimethyl-N-(oxan-4-ylmethyl)thiolan-3-amine
SMILESCC1SCCC1(CN)N(C)CC1CCOCC1
InChIInChI=1S/C13H26N2OS/c1-11-13(10-14,5-8-17-11)15(2)9-12-3-6-16-7-4-12/h11-12H,3-10,14H2,1-2H3
InChIKeyZNSVKIHTAWESPX-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.57
Rot. Bonds4

About 3-(aminomethyl)-N,2-dimethyl-N-(oxan-4-ylmethyl)thiolan-3-amine

3-(aminomethyl)-N,2-dimethyl-N-(oxan-4-ylmethyl)thiolan-3-amine (PubChem CID 114080149) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N,2-dimethyl-N-(oxan-4-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,2-dimethyl-N-(oxan-4-ylmethyl)thiolan-3-amine
PubChem CID114080149
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name3-(aminomethyl)-N,2-dimethyl-N-(oxan-4-ylmethyl)thiolan-3-amine
SMILESCC1SCCC1(CN)N(C)CC1CCOCC1
InChIInChI=1S/C13H26N2OS/c1-11-13(10-14,5-8-17-11)15(2)9-12-3-6-16-7-4-12/h11-12H,3-10,14H2,1-2H3
InChIKeyZNSVKIHTAWESPX-UHFFFAOYSA-N
XLogP1.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N,3-dimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
CID 64500110
3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylthian-3-amine
CID 79952322
4-(aminomethyl)-N-(cyclopropylmethyl)-N-methyloxan-4-amine
CID 60984888
3-(aminomethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thiolan-3-amine
CID 114080121
1-(aminomethyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
CID 63725587
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 62391316
1-(aminomethyl)-N-methyl-N-(oxolan-3-ylmethyl)cycloheptan-1-amine
CID 62008518
3-(aminomethyl)-N,2-dimethyl-N-(2-propan-2-yloxyethyl)thian-3-amine
CID 81059407
1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine
CID 64763172
2-methyl-3-(oxan-4-yl)thiolan-3-ol
CID 83819553
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine
CID 65079226
N-methyl-N-(oxan-4-ylmethyl)cyclopropanamine
CID 70661195

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,2-dimethyl-N-(oxan-4-ylmethyl)thiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N,2-dimethyl-N-(oxan-4-ylmethyl)thiolan-3-amine (CID 114080149) is 3-(aminomethyl)-N,2-dimethyl-N-(oxan-4-ylmethyl)thiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,2-dimethyl-N-(oxan-4-ylmethyl)thiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,2-dimethyl-N-(oxan-4-ylmethyl)thiolan-3-amine is CC1SCCC1(CN)N(C)CC1CCOCC1.
What is the InChIKey of 3-(aminomethyl)-N,2-dimethyl-N-(oxan-4-ylmethyl)thiolan-3-amine?
The InChIKey is ZNSVKIHTAWESPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-11-13(10-14,5-8-17-11)15(2)9-12-3-6-16-7-4-12/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N,2-dimethyl-N-(oxan-4-ylmethyl)thiolan-3-amine?
3-(aminomethyl)-N,2-dimethyl-N-(oxan-4-ylmethyl)thiolan-3-amine has a molecular weight of 258.43 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,2-dimethyl-N-(oxan-4-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 114080149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).