N-cyclopropyl-1-(1,4-dithian-2-ylmethyl)imidazol-2-amine

C11H17N3S2 — CID 106580126

IUPACN-cyclopropyl-1-(1,4-dithian-2-ylmethyl)imidazol-2-amine
SMILESc1cn(CC2CSCCS2)c(NC2CC2)n1
InChIInChI=1S/C11H17N3S2/c1-2-9(1)13-11-12-3-4-14(11)7-10-8-15-5-6-16-10/h3-4,9-10H,1-2,5-8H2,(H,12,13)
InChIKeyQLOLVNSFPYWOLO-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.31
Rot. Bonds4

About N-cyclopropyl-1-(1,4-dithian-2-ylmethyl)imidazol-2-amine

N-cyclopropyl-1-(1,4-dithian-2-ylmethyl)imidazol-2-amine (PubChem CID 106580126) has the molecular formula C11H17N3S2 and a molecular weight of 255.41 g/mol. Its IUPAC name is N-cyclopropyl-1-(1,4-dithian-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(1,4-dithian-2-ylmethyl)imidazol-2-amine
PubChem CID106580126
Molecular FormulaC11H17N3S2
Molecular Weight255.41 g/mol
Exact Mass255.09
IUPAC NameN-cyclopropyl-1-(1,4-dithian-2-ylmethyl)imidazol-2-amine
SMILESc1cn(CC2CSCCS2)c(NC2CC2)n1
InChIInChI=1S/C11H17N3S2/c1-2-9(1)13-11-12-3-4-14(11)7-10-8-15-5-6-16-10/h3-4,9-10H,1-2,5-8H2,(H,12,13)
InChIKeyQLOLVNSFPYWOLO-UHFFFAOYSA-N
XLogP2.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine
CID 106580102
N-cyclohexyl-1-(cyclohexylmethyl)imidazol-2-amine
CID 106561648
N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 106580111
1-propyl-N-(thian-4-yl)imidazol-2-amine
CID 106582117
N-cyclopropyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560113
N-cyclopropyl-1-[(1-ethylpiperidin-4-yl)methyl]imidazol-2-amine
CID 106566972
N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576786
N-cyclopropyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine
CID 106557493
N-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576814
N-cyclopropyl-1-pentylimidazol-2-amine
CID 106556933
N-cyclohexyl-1-(2,2-dimethylpropyl)imidazol-2-amine
CID 106563673
N-cyclopropyl-1-(2-methylbutyl)imidazol-2-amine
CID 106570372

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(1,4-dithian-2-ylmethyl)imidazol-2-amine?
The IUPAC name of N-cyclopropyl-1-(1,4-dithian-2-ylmethyl)imidazol-2-amine (CID 106580126) is N-cyclopropyl-1-(1,4-dithian-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for N-cyclopropyl-1-(1,4-dithian-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for N-cyclopropyl-1-(1,4-dithian-2-ylmethyl)imidazol-2-amine is c1cn(CC2CSCCS2)c(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-1-(1,4-dithian-2-ylmethyl)imidazol-2-amine?
The InChIKey is QLOLVNSFPYWOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S2/c1-2-9(1)13-11-12-3-4-14(11)7-10-8-15-5-6-16-10/h3-4,9-10H,1-2,5-8H2,(H,12,13).
What are the key properties of N-cyclopropyl-1-(1,4-dithian-2-ylmethyl)imidazol-2-amine?
N-cyclopropyl-1-(1,4-dithian-2-ylmethyl)imidazol-2-amine has a molecular weight of 255.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(1,4-dithian-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106580126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).