N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine

C10H18N4O2S — CID 66192433

IUPACN-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)CCCn1cc(CNC2CC2)nn1
InChIInChI=1S/C10H18N4O2S/c1-17(15,16)6-2-5-14-8-10(12-13-14)7-11-9-3-4-9/h8-9,11H,2-7H2,1H3
InChIKeyVAGWOVWXXVMIQW-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.04
Rot. Bonds7

About N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine

N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine (PubChem CID 66192433) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine
PubChem CID66192433
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC NameN-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)CCCn1cc(CNC2CC2)nn1
InChIInChI=1S/C10H18N4O2S/c1-17(15,16)6-2-5-14-8-10(12-13-14)7-11-9-3-4-9/h8-9,11H,2-7H2,1H3
InChIKeyVAGWOVWXXVMIQW-UHFFFAOYSA-N
XLogP-0.04
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine
CID 66216457
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine
CID 66194438
N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719755
4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide
CID 66192832
3-[4-[[(1,1-dioxothian-4-yl)amino]methyl]triazol-1-yl]propan-1-ol
CID 66268350
3-[1-(3-methylsulfonylpropyl)triazol-4-yl]propanoic acid
CID 107460770
2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol
CID 66268121
N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 62418703
N-[[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62421520
N-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 115942925
2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide
CID 66193582

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine (CID 66192433) is N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine is CS(=O)(=O)CCCn1cc(CNC2CC2)nn1.
What is the InChIKey of N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is VAGWOVWXXVMIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-17(15,16)6-2-5-14-8-10(12-13-14)7-11-9-3-4-9/h8-9,11H,2-7H2,1H3.
What are the key properties of N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine?
N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 258.35 g/mol, XLogP of -0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66192433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).