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N-[3,3-dimethyl-2-propan-2-yloxy-5-(2H-tetrazol-5-yl)heptyl]-N-ethylmethanesulfonamide

C16H33N5O3S — CID 118241855

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[3,3-dimethyl-2-propan-2-yloxy-5-(2H-tetrazol-5-yl)heptyl]-N-ethylmethanesulfonamide
SMILESCCC(CC(C)(C)C(CN(CC)S(C)(=O)=O)OC(C)C)c1nn[nH]n1
InChIInChI=1S/C16H33N5O3S/c1-8-13(15-17-19-20-18-15)10-16(5,6)14(24-12(3)4)11-21(9-2)25(7,22)23/h12-14H,8-11H2,1-7H3,(H,17,18,19,20)
InChIKeyMAXAATILMGRMMP-UHFFFAOYSA-N
MW375.54 g/mol
LogP2.18
Rot. Bonds11

About N-[3,3-dimethyl-2-propan-2-yloxy-5-(2H-tetrazol-5-yl)heptyl]-N-ethylmethanesulfonamide

N-[3,3-dimethyl-2-propan-2-yloxy-5-(2H-tetrazol-5-yl)heptyl]-N-ethylmethanesulfonamide (PubChem CID 118241855) has the molecular formula C16H33N5O3S and a molecular weight of 375.54 g/mol. Its IUPAC name is N-[3,3-dimethyl-2-propan-2-yloxy-5-(2H-tetrazol-5-yl)heptyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-2-propan-2-yloxy-5-(2H-tetrazol-5-yl)heptyl]-N-ethylmethanesulfonamide
PubChem CID118241855
Molecular FormulaC16H33N5O3S
Molecular Weight375.54 g/mol
Exact Mass375.23
IUPAC NameN-[3,3-dimethyl-2-propan-2-yloxy-5-(2H-tetrazol-5-yl)heptyl]-N-ethylmethanesulfonamide
SMILESCCC(CC(C)(C)C(CN(CC)S(C)(=O)=O)OC(C)C)c1nn[nH]n1
InChIInChI=1S/C16H33N5O3S/c1-8-13(15-17-19-20-18-15)10-16(5,6)14(24-12(3)4)11-21(9-2)25(7,22)23/h12-14H,8-11H2,1-7H3,(H,17,18,19,20)
InChIKeyMAXAATILMGRMMP-UHFFFAOYSA-N
XLogP2.18
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-2-propan-2-yloxy-5-(2H-tetrazol-5-yl)heptyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[3,3-dimethyl-2-propan-2-yloxy-5-(2H-tetrazol-5-yl)heptyl]-N-ethylmethanesulfonamide (CID 118241855) is N-[3,3-dimethyl-2-propan-2-yloxy-5-(2H-tetrazol-5-yl)heptyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[3,3-dimethyl-2-propan-2-yloxy-5-(2H-tetrazol-5-yl)heptyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[3,3-dimethyl-2-propan-2-yloxy-5-(2H-tetrazol-5-yl)heptyl]-N-ethylmethanesulfonamide is CCC(CC(C)(C)C(CN(CC)S(C)(=O)=O)OC(C)C)c1nn[nH]n1.
What is the InChIKey of N-[3,3-dimethyl-2-propan-2-yloxy-5-(2H-tetrazol-5-yl)heptyl]-N-ethylmethanesulfonamide?
The InChIKey is MAXAATILMGRMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5O3S/c1-8-13(15-17-19-20-18-15)10-16(5,6)14(24-12(3)4)11-21(9-2)25(7,22)23/h12-14H,8-11H2,1-7H3,(H,17,18,19,20).
What are the key properties of N-[3,3-dimethyl-2-propan-2-yloxy-5-(2H-tetrazol-5-yl)heptyl]-N-ethylmethanesulfonamide?
N-[3,3-dimethyl-2-propan-2-yloxy-5-(2H-tetrazol-5-yl)heptyl]-N-ethylmethanesulfonamide has a molecular weight of 375.54 g/mol, XLogP of 2.18, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-2-propan-2-yloxy-5-(2H-tetrazol-5-yl)heptyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 118241855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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