2-[(1-methyltriazol-4-yl)methylsulfonyl]propan-1-amine

C7H14N4O2S — CID 107059475

IUPAC2-[(1-methyltriazol-4-yl)methylsulfonyl]propan-1-amine
SMILESCC(CN)S(=O)(=O)Cc1cn(C)nn1
InChIInChI=1S/C7H14N4O2S/c1-6(3-8)14(12,13)5-7-4-11(2)10-9-7/h4,6H,3,5,8H2,1-2H3
InChIKeyCWMDNHUOKFQYQN-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.92
Rot. Bonds4

About 2-[(1-methyltriazol-4-yl)methylsulfonyl]propan-1-amine

2-[(1-methyltriazol-4-yl)methylsulfonyl]propan-1-amine (PubChem CID 107059475) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-[(1-methyltriazol-4-yl)methylsulfonyl]propan-1-amine.

Molecular Properties

Compound Name2-[(1-methyltriazol-4-yl)methylsulfonyl]propan-1-amine
PubChem CID107059475
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC Name2-[(1-methyltriazol-4-yl)methylsulfonyl]propan-1-amine
SMILESCC(CN)S(=O)(=O)Cc1cn(C)nn1
InChIInChI=1S/C7H14N4O2S/c1-6(3-8)14(12,13)5-7-4-11(2)10-9-7/h4,6H,3,5,8H2,1-2H3
InChIKeyCWMDNHUOKFQYQN-UHFFFAOYSA-N
XLogP-0.92
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(1-methyltriazol-4-yl)methylsulfonyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107054917
4-(1-methyltriazol-4-yl)butan-2-amine
CID 107044565
3-methylsulfonyl-1-(1-methyltriazol-4-yl)butan-2-ol
CID 107065643
2-[(1-methyltriazol-4-yl)methylsulfinyl]ethanamine
CID 107059374
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170
4-amino-1-(1-methyltriazol-4-yl)-3-phenylbutan-2-one
CID 107061986
chloro 2-amino-3-(1-methyltriazol-4-yl)propanoate
CID 169223972
ethane;4-ethyl-1-methyltriazole
CID 143593274
(1R)-N-[(1-methyltriazol-4-yl)methyl]-1-phenylethanamine
CID 79032580
(1S)-N-[(1-methyltriazol-4-yl)methyl]-1-phenylethanamine
CID 79033159
4-(1-methoxyethoxymethyl)-1-methyltriazole
CID 174763188
3-(1-methyltriazol-4-yl)propanoic acid
CID 21284782

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyltriazol-4-yl)methylsulfonyl]propan-1-amine?
The IUPAC name of 2-[(1-methyltriazol-4-yl)methylsulfonyl]propan-1-amine (CID 107059475) is 2-[(1-methyltriazol-4-yl)methylsulfonyl]propan-1-amine.
What is the SMILES notation for 2-[(1-methyltriazol-4-yl)methylsulfonyl]propan-1-amine?
The canonical SMILES for 2-[(1-methyltriazol-4-yl)methylsulfonyl]propan-1-amine is CC(CN)S(=O)(=O)Cc1cn(C)nn1.
What is the InChIKey of 2-[(1-methyltriazol-4-yl)methylsulfonyl]propan-1-amine?
The InChIKey is CWMDNHUOKFQYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-6(3-8)14(12,13)5-7-4-11(2)10-9-7/h4,6H,3,5,8H2,1-2H3.
What are the key properties of 2-[(1-methyltriazol-4-yl)methylsulfonyl]propan-1-amine?
2-[(1-methyltriazol-4-yl)methylsulfonyl]propan-1-amine has a molecular weight of 218.28 g/mol, XLogP of -0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyltriazol-4-yl)methylsulfonyl]propan-1-amine is sourced from PubChem (CID 107059475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).