N,N-dimethyl-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanesulfonamide

C10H19N5O2S — CID 146139062

IUPACN,N-dimethyl-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCN1CCC[C@H]1c1ncn[nH]1
InChIInChI=1S/C10H19N5O2S/c1-14(2)18(16,17)7-6-15-5-3-4-9(15)10-11-8-12-13-10/h8-9H,3-7H2,1-2H3,(H,11,12,13)/t9-/m0/s1
InChIKeyHOJDDTWGBVVCIX-VIFPVBQESA-N
MW273.36 g/mol
LogP-0.17
Rot. Bonds5

About N,N-dimethyl-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanesulfonamide

N,N-dimethyl-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanesulfonamide (PubChem CID 146139062) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanesulfonamide
PubChem CID146139062
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC NameN,N-dimethyl-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCN1CCC[C@H]1c1ncn[nH]1
InChIInChI=1S/C10H19N5O2S/c1-14(2)18(16,17)7-6-15-5-3-4-9(15)10-11-8-12-13-10/h8-9H,3-7H2,1-2H3,(H,11,12,13)/t9-/m0/s1
InChIKeyHOJDDTWGBVVCIX-VIFPVBQESA-N
XLogP-0.17
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanesulfonamide (CID 146139062) is N,N-dimethyl-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanesulfonamide is CN(C)S(=O)(=O)CCN1CCC[C@H]1c1ncn[nH]1.
What is the InChIKey of N,N-dimethyl-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanesulfonamide?
The InChIKey is HOJDDTWGBVVCIX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-14(2)18(16,17)7-6-15-5-3-4-9(15)10-11-8-12-13-10/h8-9H,3-7H2,1-2H3,(H,11,12,13)/t9-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanesulfonamide?
N,N-dimethyl-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanesulfonamide has a molecular weight of 273.36 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanesulfonamide is sourced from PubChem (CID 146139062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).