N-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine

C11H21N5S — CID 64620986

IUPACN-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine
SMILESCNC1CCCCCCC1Sc1nnnn1C
InChIInChI=1S/C11H21N5S/c1-12-9-7-5-3-4-6-8-10(9)17-11-13-14-15-16(11)2/h9-10,12H,3-8H2,1-2H3
InChIKeyYRWBWXCEDJDHEG-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.61
Rot. Bonds3

About N-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine

N-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine (PubChem CID 64620986) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is N-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine
PubChem CID64620986
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC NameN-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine
SMILESCNC1CCCCCCC1Sc1nnnn1C
InChIInChI=1S/C11H21N5S/c1-12-9-7-5-3-4-6-8-10(9)17-11-13-14-15-16(11)2/h9-10,12H,3-8H2,1-2H3
InChIKeyYRWBWXCEDJDHEG-UHFFFAOYSA-N
XLogP1.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylcyclohexan-1-amine
CID 64649338
trans-(1R,2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol
CID 102732739
2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol
CID 60714690
2-(1-methyltetrazol-5-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 64621770
2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine
CID 64621182
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylcycloheptan-1-amine
CID 64620666
N-methyl-2-phenylsulfanylcyclododecan-1-amine
CID 64619988
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64649515
N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyloxan-4-amine
CID 64620213
(NE)-N-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclooctylidene]hydroxylamine
CID 98156144
3-(1-methyltetrazol-5-yl)sulfanylazepan-2-one
CID 42930234
1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061939

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine?
The IUPAC name of N-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine (CID 64620986) is N-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine.
What is the SMILES notation for N-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine?
The canonical SMILES for N-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine is CNC1CCCCCCC1Sc1nnnn1C.
What is the InChIKey of N-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine?
The InChIKey is YRWBWXCEDJDHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-12-9-7-5-3-4-6-8-10(9)17-11-13-14-15-16(11)2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine?
N-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine has a molecular weight of 255.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine is sourced from PubChem (CID 64620986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).