1-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-2-sulfonamide

C11H21N5O2S — CID 106068114

IUPAC1-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C11H21N5O2S/c1-9(7-12-10-4-5-10)19(17,18)15-6-2-3-11-13-8-14-16-11/h8-10,12,15H,2-7H2,1H3,(H,13,14,16)
InChIKeyRQABGVWQIDAVNB-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.20
Rot. Bonds9

About 1-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-2-sulfonamide

1-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-2-sulfonamide (PubChem CID 106068114) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-2-sulfonamide
PubChem CID106068114
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name1-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C11H21N5O2S/c1-9(7-12-10-4-5-10)19(17,18)15-6-2-3-11-13-8-14-16-11/h8-10,12,15H,2-7H2,1H3,(H,13,14,16)
InChIKeyRQABGVWQIDAVNB-UHFFFAOYSA-N
XLogP-0.20
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.20
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

N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexanesulfonamide
CID 64531690
1-(cyclopropylamino)-N-(3-phenoxypropyl)propane-2-sulfonamide
CID 106062024
3-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclobutan-1-amine
CID 103561977
2-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64531149
N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxane-4-sulfonamide
CID 64531284
1-(cyclopropylamino)-N-(3-methylbutyl)propane-2-sulfonamide
CID 106059038
3,4-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexan-1-amine
CID 64745827
1-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64523562
1-(cyclopropylamino)-N-(5-methoxypentyl)propane-2-sulfonamide
CID 106092684
1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide
CID 106093649
2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide
CID 64531405
2-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]propanoic acid
CID 64547817

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-2-sulfonamide?
The IUPAC name of 1-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-2-sulfonamide (CID 106068114) is 1-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-2-sulfonamide.
What is the SMILES notation for 1-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-2-sulfonamide?
The canonical SMILES for 1-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-2-sulfonamide is CC(CNC1CC1)S(=O)(=O)NCCCc1ncn[nH]1.
What is the InChIKey of 1-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-2-sulfonamide?
The InChIKey is RQABGVWQIDAVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-9(7-12-10-4-5-10)19(17,18)15-6-2-3-11-13-8-14-16-11/h8-10,12,15H,2-7H2,1H3,(H,13,14,16).
What are the key properties of 1-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-2-sulfonamide?
1-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-2-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of -0.20, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-2-sulfonamide is sourced from PubChem (CID 106068114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).