1-propan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

C9H17N3S — CID 79498660

IUPAC1-propan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCC(C)N1C(N)=NCC12CCSC2
InChIInChI=1S/C9H17N3S/c1-7(2)12-8(10)11-5-9(12)3-4-13-6-9/h7H,3-6H2,1-2H3,(H2,10,11)
InChIKeyCRSKTADHFQPLES-UHFFFAOYSA-N
MW199.32 g/mol
LogP0.90
Rot. Bonds1

About 1-propan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

1-propan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 79498660) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 1-propan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name1-propan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID79498660
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name1-propan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCC(C)N1C(N)=NCC12CCSC2
InChIInChI=1S/C9H17N3S/c1-7(2)12-8(10)11-5-9(12)3-4-13-6-9/h7H,3-6H2,1-2H3,(H2,10,11)
InChIKeyCRSKTADHFQPLES-UHFFFAOYSA-N
XLogP0.90
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Tert-butyl-1-methyl-1-(thiolan-3-yl)guanidine
CID 62361880
1-Methyl-2-(2-methylpropyl)-1-(thiolan-3-yl)guanidine
CID 62361881
7,7-Dioxo-1-propan-2-yl-7lambda6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79497044
1-[2-(Dimethylamino)ethyl]-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79497060
5-(2-Methylsulfanylethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 79497240
1-(2-Methylpropyl)-7,7-dioxo-7lambda6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79497310
1-[2-(Dimethylamino)ethyl]-7,7-dioxo-7lambda6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79497824
1-(2-Methylpropyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
CID 79498064
1-Propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498187
1-(2-Methylpropyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79498230
1-(2-Methylpropyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498244
1-Propan-2-yl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498284

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 1-propan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 79498660) is 1-propan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 1-propan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 1-propan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is CC(C)N1C(N)=NCC12CCSC2.
What is the InChIKey of 1-propan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is CRSKTADHFQPLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-7(2)12-8(10)11-5-9(12)3-4-13-6-9/h7H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of 1-propan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
1-propan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 199.32 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79498660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).