1-methyl-N-(thiolan-3-ylmethyl)tetrazol-5-amine

C7H13N5S — CID 107296847

IUPAC1-methyl-N-(thiolan-3-ylmethyl)tetrazol-5-amine
SMILESCn1nnnc1NCC1CCSC1
InChIInChI=1S/C7H13N5S/c1-12-7(9-10-11-12)8-4-6-2-3-13-5-6/h6H,2-5H2,1H3,(H,8,9,11)
InChIKeyQKBSDYIGHSRDHC-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.38
Rot. Bonds3

About 1-methyl-N-(thiolan-3-ylmethyl)tetrazol-5-amine

1-methyl-N-(thiolan-3-ylmethyl)tetrazol-5-amine (PubChem CID 107296847) has the molecular formula C7H13N5S and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-methyl-N-(thiolan-3-ylmethyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-(thiolan-3-ylmethyl)tetrazol-5-amine
PubChem CID107296847
Molecular FormulaC7H13N5S
Molecular Weight199.28 g/mol
Exact Mass199.09
IUPAC Name1-methyl-N-(thiolan-3-ylmethyl)tetrazol-5-amine
SMILESCn1nnnc1NCC1CCSC1
InChIInChI=1S/C7H13N5S/c1-12-7(9-10-11-12)8-4-6-2-3-13-5-6/h6H,2-5H2,1H3,(H,8,9,11)
InChIKeyQKBSDYIGHSRDHC-UHFFFAOYSA-N
XLogP0.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopropyl-N'-(1-methyltetrazol-5-yl)ethane-1,2-diamine
CID 63758915
5,6-dimethyl-N-(thiolan-3-ylmethyl)-1,2,4-triazin-3-amine
CID 107296743
N-[(1-methyltriazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107166795
5-methyl-N-(thiolan-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 107297184
6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 107298829
N-[(1-methyltetrazol-5-yl)methyl]thian-3-amine
CID 131140778
1-methyl-N-(2-pyrrolidin-3-ylethyl)tetrazol-5-amine
CID 63623261
N-(thiolan-3-ylmethyl)pyrimidin-5-amine
CID 107588267
4-ethylsulfonyl-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 107299141
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295384
2-N-(thian-3-ylmethyl)-1,3,4-oxadiazole-2,5-diamine
CID 130948207
2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine
CID 107294936

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(thiolan-3-ylmethyl)tetrazol-5-amine?
The IUPAC name of 1-methyl-N-(thiolan-3-ylmethyl)tetrazol-5-amine (CID 107296847) is 1-methyl-N-(thiolan-3-ylmethyl)tetrazol-5-amine.
What is the SMILES notation for 1-methyl-N-(thiolan-3-ylmethyl)tetrazol-5-amine?
The canonical SMILES for 1-methyl-N-(thiolan-3-ylmethyl)tetrazol-5-amine is Cn1nnnc1NCC1CCSC1.
What is the InChIKey of 1-methyl-N-(thiolan-3-ylmethyl)tetrazol-5-amine?
The InChIKey is QKBSDYIGHSRDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5S/c1-12-7(9-10-11-12)8-4-6-2-3-13-5-6/h6H,2-5H2,1H3,(H,8,9,11).
What are the key properties of 1-methyl-N-(thiolan-3-ylmethyl)tetrazol-5-amine?
1-methyl-N-(thiolan-3-ylmethyl)tetrazol-5-amine has a molecular weight of 199.28 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(thiolan-3-ylmethyl)tetrazol-5-amine is sourced from PubChem (CID 107296847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).