N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine

C9H17N5OS — CID 104755174

IUPACN-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(CSc1nnnn1C)C1CCOC1
InChIInChI=1S/C9H17N5OS/c1-10-8(7-3-4-15-5-7)6-16-9-11-12-13-14(9)2/h7-8,10H,3-6H2,1-2H3
InChIKeyUFCBBJRSEGZHST-UHFFFAOYSA-N
MW243.34 g/mol
LogP-0.07
Rot. Bonds5

About N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine

N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104755174) has the molecular formula C9H17N5OS and a molecular weight of 243.34 g/mol. Its IUPAC name is N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
PubChem CID104755174
Molecular FormulaC9H17N5OS
Molecular Weight243.34 g/mol
Exact Mass243.12
IUPAC NameN-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(CSc1nnnn1C)C1CCOC1
InChIInChI=1S/C9H17N5OS/c1-10-8(7-3-4-15-5-7)6-16-9-11-12-13-14(9)2/h7-8,10H,3-6H2,1-2H3
InChIKeyUFCBBJRSEGZHST-UHFFFAOYSA-N
XLogP-0.07
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine (CID 104755174) is N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine is CNC(CSc1nnnn1C)C1CCOC1.
What is the InChIKey of N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is UFCBBJRSEGZHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5OS/c1-10-8(7-3-4-15-5-7)6-16-9-11-12-13-14(9)2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine?
N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 243.34 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104755174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).