N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine

C9H19N5S — CID 62578341

IUPACN-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine
SMILESCCCCCNCCSc1nnnn1C
InChIInChI=1S/C9H19N5S/c1-3-4-5-6-10-7-8-15-9-11-12-13-14(9)2/h10H,3-8H2,1-2H3
InChIKeyACSZMUWOJAVRDF-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.08
Rot. Bonds8

About N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine

N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine (PubChem CID 62578341) has the molecular formula C9H19N5S and a molecular weight of 229.35 g/mol. Its IUPAC name is N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine
PubChem CID62578341
Molecular FormulaC9H19N5S
Molecular Weight229.35 g/mol
Exact Mass229.14
IUPAC NameN-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine
SMILESCCCCCNCCSc1nnnn1C
InChIInChI=1S/C9H19N5S/c1-3-4-5-6-10-7-8-15-9-11-12-13-14(9)2/h10H,3-8H2,1-2H3
InChIKeyACSZMUWOJAVRDF-UHFFFAOYSA-N
XLogP1.08
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine
CID 62577878
N-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]hexan-1-amine
CID 104604121
N-[(4-ethylphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride
CID 17060129
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine
CID 61385651
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylethanamine
CID 62578123
4-(1-methyltetrazol-5-yl)sulfanylbutylthiourea
CID 163707173
3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol
CID 43388613
N-[(4-methylsulfanylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 2996892
N-[(4-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
CID 17291661
N-[(4-chlorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine chloride
CID 53346680
N-[(4-chlorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
CID 2976228
N,N-diethyl-4-[[2-(1-methyltetrazol-5-yl)sulfanylethylamino]methyl]aniline;hydrochloride
CID 6458712

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine?
The IUPAC name of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine (CID 62578341) is N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine.
What is the SMILES notation for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine?
The canonical SMILES for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine is CCCCCNCCSc1nnnn1C.
What is the InChIKey of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine?
The InChIKey is ACSZMUWOJAVRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5S/c1-3-4-5-6-10-7-8-15-9-11-12-13-14(9)2/h10H,3-8H2,1-2H3.
What are the key properties of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine?
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine has a molecular weight of 229.35 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]pentan-1-amine is sourced from PubChem (CID 62578341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).