N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide

C10H20N4O2S — CID 164639266

IUPACN-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
SMILESCCCn1cnnc1[C@H](C)NS(=O)(=O)CCC
InChIInChI=1S/C10H20N4O2S/c1-4-6-14-8-11-12-10(14)9(3)13-17(15,16)7-5-2/h8-9,13H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyYRVMXYWZFRGGSI-VIFPVBQESA-N
MW260.36 g/mol
LogP1.08
Rot. Bonds7

About N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide

N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide (PubChem CID 164639266) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
PubChem CID164639266
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
SMILESCCCn1cnnc1[C@H](C)NS(=O)(=O)CCC
InChIInChI=1S/C10H20N4O2S/c1-4-6-14-8-11-12-10(14)9(3)13-17(15,16)7-5-2/h8-9,13H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyYRVMXYWZFRGGSI-VIFPVBQESA-N
XLogP1.08
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide (CID 164639266) is N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide is CCCn1cnnc1[C@H](C)NS(=O)(=O)CCC.
What is the InChIKey of N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide?
The InChIKey is YRVMXYWZFRGGSI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-4-6-14-8-11-12-10(14)9(3)13-17(15,16)7-5-2/h8-9,13H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide?
N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 164639266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).