1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]tetrazole

C12H23N7O3S — CID 72914713

IUPAC1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]tetrazole
SMILESCC(C)[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C12H23N7O3S/c1-9(2)10-5-18(12(20)7-19-8-13-15-16-19)6-11(10)14-23(21,22)17(3)4/h8-11,14H,5-7H2,1-4H3/t10-,11+/m0/s1
InChIKeyBKOLVFUJTXJXHC-WDEREUQCSA-N
MW345.43 g/mol
LogP-1.45
Rot. Bonds6

About 1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]tetrazole

1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]tetrazole (PubChem CID 72914713) has the molecular formula C12H23N7O3S and a molecular weight of 345.43 g/mol. Its IUPAC name is 1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]tetrazole.

Molecular Properties

Compound Name1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]tetrazole
PubChem CID72914713
Molecular FormulaC12H23N7O3S
Molecular Weight345.43 g/mol
Exact Mass345.16
IUPAC Name1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]tetrazole
SMILESCC(C)[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C12H23N7O3S/c1-9(2)10-5-18(12(20)7-19-8-13-15-16-19)6-11(10)14-23(21,22)17(3)4/h8-11,14H,5-7H2,1-4H3/t10-,11+/m0/s1
InChIKeyBKOLVFUJTXJXHC-WDEREUQCSA-N
XLogP-1.45
TPSA113.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]tetrazole?
The IUPAC name of 1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]tetrazole (CID 72914713) is 1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]tetrazole.
What is the SMILES notation for 1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]tetrazole?
The canonical SMILES for 1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]tetrazole is CC(C)[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NS(=O)(=O)N(C)C.
What is the InChIKey of 1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]tetrazole?
The InChIKey is BKOLVFUJTXJXHC-WDEREUQCSA-N. The full InChI is InChI=1S/C12H23N7O3S/c1-9(2)10-5-18(12(20)7-19-8-13-15-16-19)6-11(10)14-23(21,22)17(3)4/h8-11,14H,5-7H2,1-4H3/t10-,11+/m0/s1.
What are the key properties of 1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]tetrazole?
1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]tetrazole has a molecular weight of 345.43 g/mol, XLogP of -1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]tetrazole is sourced from PubChem (CID 72914713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).