N-[(3S,4R)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

C13H26N6O2S — CID 70733082

IUPACN-[(3S,4R)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCc1nnnn1CCCN1C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C1
InChIInChI=1S/C13H26N6O2S/c1-10(2)12-8-18(9-13(12)15-22(4,20)21)6-5-7-19-11(3)14-16-17-19/h10,12-13,15H,5-9H2,1-4H3/t12-,13+/m0/s1
InChIKeyFQPWGYPBAGUOEB-QWHCGFSZSA-N
MW330.46 g/mol
LogP-0.12
Rot. Bonds7

About N-[(3S,4R)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 70733082) has the molecular formula C13H26N6O2S and a molecular weight of 330.46 g/mol. Its IUPAC name is N-[(3S,4R)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
PubChem CID70733082
Molecular FormulaC13H26N6O2S
Molecular Weight330.46 g/mol
Exact Mass330.18
IUPAC NameN-[(3S,4R)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCc1nnnn1CCCN1C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C1
InChIInChI=1S/C13H26N6O2S/c1-10(2)12-8-18(9-13(12)15-22(4,20)21)6-5-7-19-11(3)14-16-17-19/h10,12-13,15H,5-9H2,1-4H3/t12-,13+/m0/s1
InChIKeyFQPWGYPBAGUOEB-QWHCGFSZSA-N
XLogP-0.12
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (CID 70733082) is N-[(3S,4R)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is Cc1nnnn1CCCN1C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C1.
What is the InChIKey of N-[(3S,4R)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is FQPWGYPBAGUOEB-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H26N6O2S/c1-10(2)12-8-18(9-13(12)15-22(4,20)21)6-5-7-19-11(3)14-16-17-19/h10,12-13,15H,5-9H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 330.46 g/mol, XLogP of -0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 70733082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).