1-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-2-sulfonamide

C10H21N5O2S — CID 114168215

IUPAC1-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C10H21N5O2S/c1-4-5-11-6-8(2)18(16,17)15-9(3)10-12-7-13-14-10/h7-9,11,15H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyMPHLKJHHSSDJGX-UHFFFAOYSA-N
MW275.38 g/mol
LogP0.17
Rot. Bonds8

About 1-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-2-sulfonamide

1-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-2-sulfonamide (PubChem CID 114168215) has the molecular formula C10H21N5O2S and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-2-sulfonamide
PubChem CID114168215
Molecular FormulaC10H21N5O2S
Molecular Weight275.38 g/mol
Exact Mass275.14
IUPAC Name1-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C10H21N5O2S/c1-4-5-11-6-8(2)18(16,17)15-9(3)10-12-7-13-14-10/h7-9,11,15H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyMPHLKJHHSSDJGX-UHFFFAOYSA-N
XLogP0.17
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 106281568
1-propyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 103950239
2-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide
CID 106283483
3-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-1-sulfonamide
CID 106283726
4-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283457
1,1-dioxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiane-4-sulfonamide
CID 103943224
3-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-1-sulfonamide
CID 103885469
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103885398
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
CID 113345805
N-propyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
CID 106282881
1-(propylamino)-N-(pyrimidin-4-ylmethyl)propane-2-sulfonamide
CID 106092643
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103943314

Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-2-sulfonamide?
The IUPAC name of 1-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-2-sulfonamide (CID 114168215) is 1-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for 1-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-2-sulfonamide?
The canonical SMILES for 1-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-2-sulfonamide is CCCNCC(C)S(=O)(=O)NC(C)c1ncn[nH]1.
What is the InChIKey of 1-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-2-sulfonamide?
The InChIKey is MPHLKJHHSSDJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O2S/c1-4-5-11-6-8(2)18(16,17)15-9(3)10-12-7-13-14-10/h7-9,11,15H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 1-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-2-sulfonamide?
1-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-2-sulfonamide has a molecular weight of 275.38 g/mol, XLogP of 0.17, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 114168215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).