N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(2H-tetrazol-5-yl)propyl]methanesulfonamide

C15H31N5O3S — CID 70938629

IUPACN-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(2H-tetrazol-5-yl)propyl]methanesulfonamide
SMILESCC(OC(Cc1nn[nH]n1)CN(C(C)(C)C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C15H31N5O3S/c1-11(14(2,3)4)23-12(9-13-16-18-19-17-13)10-20(15(5,6)7)24(8,21)22/h11-12H,9-10H2,1-8H3,(H,16,17,18,19)
InChIKeyUXLQPPDMJNABGM-UHFFFAOYSA-N
MW361.51 g/mol
LogP1.62
Rot. Bonds7

About N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(2H-tetrazol-5-yl)propyl]methanesulfonamide

N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(2H-tetrazol-5-yl)propyl]methanesulfonamide (PubChem CID 70938629) has the molecular formula C15H31N5O3S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(2H-tetrazol-5-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(2H-tetrazol-5-yl)propyl]methanesulfonamide
PubChem CID70938629
Molecular FormulaC15H31N5O3S
Molecular Weight361.51 g/mol
Exact Mass361.21
IUPAC NameN-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(2H-tetrazol-5-yl)propyl]methanesulfonamide
SMILESCC(OC(Cc1nn[nH]n1)CN(C(C)(C)C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C15H31N5O3S/c1-11(14(2,3)4)23-12(9-13-16-18-19-17-13)10-20(15(5,6)7)24(8,21)22/h11-12H,9-10H2,1-8H3,(H,16,17,18,19)
InChIKeyUXLQPPDMJNABGM-UHFFFAOYSA-N
XLogP1.62
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(2H-tetrazol-5-yl)propyl]methanesulfonamide?
The IUPAC name of N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(2H-tetrazol-5-yl)propyl]methanesulfonamide (CID 70938629) is N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(2H-tetrazol-5-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(2H-tetrazol-5-yl)propyl]methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(2H-tetrazol-5-yl)propyl]methanesulfonamide is CC(OC(Cc1nn[nH]n1)CN(C(C)(C)C)S(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(2H-tetrazol-5-yl)propyl]methanesulfonamide?
The InChIKey is UXLQPPDMJNABGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O3S/c1-11(14(2,3)4)23-12(9-13-16-18-19-17-13)10-20(15(5,6)7)24(8,21)22/h11-12H,9-10H2,1-8H3,(H,16,17,18,19).
What are the key properties of N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(2H-tetrazol-5-yl)propyl]methanesulfonamide?
N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(2H-tetrazol-5-yl)propyl]methanesulfonamide has a molecular weight of 361.51 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(2H-tetrazol-5-yl)propyl]methanesulfonamide is sourced from PubChem (CID 70938629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).