N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(1,2,4-triazol-1-yl)butanamide

C13H23N5O4S — CID 135119880

IUPACN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCCn1cncn1
InChIInChI=1S/C13H23N5O4S/c1-17(2)23(20,21)8-11-6-22-7-12(11)16-13(19)4-3-5-18-10-14-9-15-18/h9-12H,3-8H2,1-2H3,(H,16,19)/t11-,12+/m0/s1
InChIKeyZNAMUBBWOOPOMZ-NWDGAFQWSA-N
MW345.43 g/mol
LogP-0.92
Rot. Bonds8

About N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(1,2,4-triazol-1-yl)butanamide

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 135119880) has the molecular formula C13H23N5O4S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID135119880
Molecular FormulaC13H23N5O4S
Molecular Weight345.43 g/mol
Exact Mass345.15
IUPAC NameN-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCCn1cncn1
InChIInChI=1S/C13H23N5O4S/c1-17(2)23(20,21)8-11-6-22-7-12(11)16-13(19)4-3-5-18-10-14-9-15-18/h9-12H,3-8H2,1-2H3,(H,16,19)/t11-,12+/m0/s1
InChIKeyZNAMUBBWOOPOMZ-NWDGAFQWSA-N
XLogP-0.92
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(1,2,4-triazol-1-yl)butanamide (CID 135119880) is N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(1,2,4-triazol-1-yl)butanamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCCn1cncn1.
What is the InChIKey of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is ZNAMUBBWOOPOMZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H23N5O4S/c1-17(2)23(20,21)8-11-6-22-7-12(11)16-13(19)4-3-5-18-10-14-9-15-18/h9-12H,3-8H2,1-2H3,(H,16,19)/t11-,12+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 345.43 g/mol, XLogP of -0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 135119880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).