[3-(4-methyl-1,4-diazepan-1-yl)thiolan-3-yl]methanamine

C11H23N3S — CID 43209349

IUPAC[3-(4-methyl-1,4-diazepan-1-yl)thiolan-3-yl]methanamine
SMILESCN1CCCN(C2(CN)CCSC2)CC1
InChIInChI=1S/C11H23N3S/c1-13-4-2-5-14(7-6-13)11(9-12)3-8-15-10-11/h2-10,12H2,1H3
InChIKeySTNFYSJKBVHIPB-UHFFFAOYSA-N
MW229.39 g/mol
LogP0.46
Rot. Bonds2

About [3-(4-methyl-1,4-diazepan-1-yl)thiolan-3-yl]methanamine

[3-(4-methyl-1,4-diazepan-1-yl)thiolan-3-yl]methanamine (PubChem CID 43209349) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is [3-(4-methyl-1,4-diazepan-1-yl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-methyl-1,4-diazepan-1-yl)thiolan-3-yl]methanamine
PubChem CID43209349
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name[3-(4-methyl-1,4-diazepan-1-yl)thiolan-3-yl]methanamine
SMILESCN1CCCN(C2(CN)CCSC2)CC1
InChIInChI=1S/C11H23N3S/c1-13-4-2-5-14(7-6-13)11(9-12)3-8-15-10-11/h2-10,12H2,1H3
InChIKeySTNFYSJKBVHIPB-UHFFFAOYSA-N
XLogP0.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 2779827
N,N-dimethyl-3-[(propan-2-ylamino)methyl]thiolan-3-amine
CID 115906079
2-Thia-6,9-diazaspiro[4.6]undecane
CID 118210054
2-Thia-6,10-diazaspiro[4.6]undecane
CID 118210096
10-Thia-2,6-diazaspiro[4.6]undecane
CID 118210381
3-Methyl-3-(1,4-thiazepan-4-yl)pentan-2-amine
CID 123691863
5,5-Dimethyl-7-methylsulfanyl-1,4-diazepane
CID 124002450
N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine
CID 130440236
N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine;ethane
CID 145087557
(3R)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 6932627
(3S)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 6932629
3-(aminomethyl)-N-methyl-N-propan-2-ylthiolan-3-amine
CID 24691049

Frequently Asked Questions

What is the IUPAC name of [3-(4-methyl-1,4-diazepan-1-yl)thiolan-3-yl]methanamine?
The IUPAC name of [3-(4-methyl-1,4-diazepan-1-yl)thiolan-3-yl]methanamine (CID 43209349) is [3-(4-methyl-1,4-diazepan-1-yl)thiolan-3-yl]methanamine.
What is the SMILES notation for [3-(4-methyl-1,4-diazepan-1-yl)thiolan-3-yl]methanamine?
The canonical SMILES for [3-(4-methyl-1,4-diazepan-1-yl)thiolan-3-yl]methanamine is CN1CCCN(C2(CN)CCSC2)CC1.
What is the InChIKey of [3-(4-methyl-1,4-diazepan-1-yl)thiolan-3-yl]methanamine?
The InChIKey is STNFYSJKBVHIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-13-4-2-5-14(7-6-13)11(9-12)3-8-15-10-11/h2-10,12H2,1H3.
What are the key properties of [3-(4-methyl-1,4-diazepan-1-yl)thiolan-3-yl]methanamine?
[3-(4-methyl-1,4-diazepan-1-yl)thiolan-3-yl]methanamine has a molecular weight of 229.39 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methyl-1,4-diazepan-1-yl)thiolan-3-yl]methanamine is sourced from PubChem (CID 43209349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).