N-cyclobutyl-N-[1-[(1-propan-2-yltetrazol-5-yl)methyl]azepan-4-yl]methanesulfonamide

C16H30N6O2S — CID 129007847

IUPACN-cyclobutyl-N-[1-[(1-propan-2-yltetrazol-5-yl)methyl]azepan-4-yl]methanesulfonamide
SMILESCC(C)n1nnnc1CN1CCCC(N(C2CCC2)S(C)(=O)=O)CC1
InChIInChI=1S/C16H30N6O2S/c1-13(2)21-16(17-18-19-21)12-20-10-5-8-15(9-11-20)22(25(3,23)24)14-6-4-7-14/h13-15H,4-12H2,1-3H3
InChIKeyDSNJPEKSVMVBKQ-UHFFFAOYSA-N
MW370.52 g/mol
LogP1.42
Rot. Bonds6

About N-cyclobutyl-N-[1-[(1-propan-2-yltetrazol-5-yl)methyl]azepan-4-yl]methanesulfonamide

N-cyclobutyl-N-[1-[(1-propan-2-yltetrazol-5-yl)methyl]azepan-4-yl]methanesulfonamide (PubChem CID 129007847) has the molecular formula C16H30N6O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-cyclobutyl-N-[1-[(1-propan-2-yltetrazol-5-yl)methyl]azepan-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-N-[1-[(1-propan-2-yltetrazol-5-yl)methyl]azepan-4-yl]methanesulfonamide
PubChem CID129007847
Molecular FormulaC16H30N6O2S
Molecular Weight370.52 g/mol
Exact Mass370.22
IUPAC NameN-cyclobutyl-N-[1-[(1-propan-2-yltetrazol-5-yl)methyl]azepan-4-yl]methanesulfonamide
SMILESCC(C)n1nnnc1CN1CCCC(N(C2CCC2)S(C)(=O)=O)CC1
InChIInChI=1S/C16H30N6O2S/c1-13(2)21-16(17-18-19-21)12-20-10-5-8-15(9-11-20)22(25(3,23)24)14-6-4-7-14/h13-15H,4-12H2,1-3H3
InChIKeyDSNJPEKSVMVBKQ-UHFFFAOYSA-N
XLogP1.42
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-[1-[(1-propan-2-yltetrazol-5-yl)methyl]azepan-4-yl]methanesulfonamide?
The IUPAC name of N-cyclobutyl-N-[1-[(1-propan-2-yltetrazol-5-yl)methyl]azepan-4-yl]methanesulfonamide (CID 129007847) is N-cyclobutyl-N-[1-[(1-propan-2-yltetrazol-5-yl)methyl]azepan-4-yl]methanesulfonamide.
What is the SMILES notation for N-cyclobutyl-N-[1-[(1-propan-2-yltetrazol-5-yl)methyl]azepan-4-yl]methanesulfonamide?
The canonical SMILES for N-cyclobutyl-N-[1-[(1-propan-2-yltetrazol-5-yl)methyl]azepan-4-yl]methanesulfonamide is CC(C)n1nnnc1CN1CCCC(N(C2CCC2)S(C)(=O)=O)CC1.
What is the InChIKey of N-cyclobutyl-N-[1-[(1-propan-2-yltetrazol-5-yl)methyl]azepan-4-yl]methanesulfonamide?
The InChIKey is DSNJPEKSVMVBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6O2S/c1-13(2)21-16(17-18-19-21)12-20-10-5-8-15(9-11-20)22(25(3,23)24)14-6-4-7-14/h13-15H,4-12H2,1-3H3.
What are the key properties of N-cyclobutyl-N-[1-[(1-propan-2-yltetrazol-5-yl)methyl]azepan-4-yl]methanesulfonamide?
N-cyclobutyl-N-[1-[(1-propan-2-yltetrazol-5-yl)methyl]azepan-4-yl]methanesulfonamide has a molecular weight of 370.52 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-[1-[(1-propan-2-yltetrazol-5-yl)methyl]azepan-4-yl]methanesulfonamide is sourced from PubChem (CID 129007847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).