2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine

C13H25N5OS — CID 103140437

IUPAC2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine
SMILESCC1CCC(CSc2nnnn2CCNC(C)(C)C)O1
InChIInChI=1S/C13H25N5OS/c1-10-5-6-11(19-10)9-20-12-15-16-17-18(12)8-7-14-13(2,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyJDGOGHDZGOVCBE-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.72
Rot. Bonds6

About 2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine

2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine (PubChem CID 103140437) has the molecular formula C13H25N5OS and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine
PubChem CID103140437
Molecular FormulaC13H25N5OS
Molecular Weight299.44 g/mol
Exact Mass299.18
IUPAC Name2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine
SMILESCC1CCC(CSc2nnnn2CCNC(C)(C)C)O1
InChIInChI=1S/C13H25N5OS/c1-10-5-6-11(19-10)9-20-12-15-16-17-18(12)8-7-14-13(2,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyJDGOGHDZGOVCBE-UHFFFAOYSA-N
XLogP1.72
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 103140436
2-methyl-N-[2-(5-pent-3-ynylsulfanyltetrazol-1-yl)ethyl]propan-2-amine
CID 113455919
6-[1-[2-(tert-butylamino)ethyl]tetrazol-5-yl]sulfanylhexan-1-ol
CID 107707232
2-methyl-N-[2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
CID 114476906
N-[2-[5-(2,3-dichloroprop-2-enylsulfanyl)tetrazol-1-yl]ethyl]-2-methylpropan-2-amine
CID 79173497
4-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]phenol
CID 103136869
2-[5-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine
CID 116524165
2-methyl-N-[2-[5-[(1-methylpyrazol-3-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine
CID 82870865
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine
CID 55071080
N-tert-butyl-4-(1-cyclopropyltetrazol-5-yl)sulfanylbutan-1-amine
CID 62578301
2-methyl-N-[2-[5-[(4-methylmorpholin-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-1-amine
CID 79172516
5-[(1-methyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid
CID 62299585

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine (CID 103140437) is 2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine is CC1CCC(CSc2nnnn2CCNC(C)(C)C)O1.
What is the InChIKey of 2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine?
The InChIKey is JDGOGHDZGOVCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5OS/c1-10-5-6-11(19-10)9-20-12-15-16-17-18(12)8-7-14-13(2,3)4/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine?
2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine has a molecular weight of 299.44 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine is sourced from PubChem (CID 103140437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).