N-[(1-methyltetrazol-5-yl)methyl]thian-3-amine

C8H15N5S — CID 131140778

IUPACN-[(1-methyltetrazol-5-yl)methyl]thian-3-amine
SMILESCn1nnnc1CNC1CCCSC1
InChIInChI=1S/C8H15N5S/c1-13-8(10-11-12-13)5-9-7-3-2-4-14-6-7/h7,9H,2-6H2,1H3
InChIKeyLFUSQMUKLKLGDW-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.20
Rot. Bonds3

About N-[(1-methyltetrazol-5-yl)methyl]thian-3-amine

N-[(1-methyltetrazol-5-yl)methyl]thian-3-amine (PubChem CID 131140778) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is N-[(1-methyltetrazol-5-yl)methyl]thian-3-amine.

Molecular Properties

Compound NameN-[(1-methyltetrazol-5-yl)methyl]thian-3-amine
PubChem CID131140778
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC NameN-[(1-methyltetrazol-5-yl)methyl]thian-3-amine
SMILESCn1nnnc1CNC1CCCSC1
InChIInChI=1S/C8H15N5S/c1-13-8(10-11-12-13)5-9-7-3-2-4-14-6-7/h7,9H,2-6H2,1H3
InChIKeyLFUSQMUKLKLGDW-UHFFFAOYSA-N
XLogP0.20
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]thian-3-amine
CID 63292249
N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thian-3-amine
CID 115885218
N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]thian-3-amine
CID 86787623
5-[[[(3R)-thian-3-yl]amino]methyl]-1,3,4-thiadiazol-2-amine
CID 125437741
N,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine
CID 115676041
N-[(2,6-dimethylphenyl)methyl]thian-3-amine
CID 115897863
1-methyl-N-(thiolan-3-ylmethyl)tetrazol-5-amine
CID 107296847
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thian-3-amine
CID 115882106
5-(cyclopentylmethyl)-1-methyltetrazole
CID 67592624
N-[(4-methylsulfanylphenyl)methyl]thian-3-amine
CID 115676008
2-[(thian-3-ylamino)methyl]phenol
CID 115676061
(3R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]thian-3-amine
CID 125435143

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltetrazol-5-yl)methyl]thian-3-amine?
The IUPAC name of N-[(1-methyltetrazol-5-yl)methyl]thian-3-amine (CID 131140778) is N-[(1-methyltetrazol-5-yl)methyl]thian-3-amine.
What is the SMILES notation for N-[(1-methyltetrazol-5-yl)methyl]thian-3-amine?
The canonical SMILES for N-[(1-methyltetrazol-5-yl)methyl]thian-3-amine is Cn1nnnc1CNC1CCCSC1.
What is the InChIKey of N-[(1-methyltetrazol-5-yl)methyl]thian-3-amine?
The InChIKey is LFUSQMUKLKLGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c1-13-8(10-11-12-13)5-9-7-3-2-4-14-6-7/h7,9H,2-6H2,1H3.
What are the key properties of N-[(1-methyltetrazol-5-yl)methyl]thian-3-amine?
N-[(1-methyltetrazol-5-yl)methyl]thian-3-amine has a molecular weight of 213.31 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltetrazol-5-yl)methyl]thian-3-amine is sourced from PubChem (CID 131140778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).