N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine

C12H23N5O2S — CID 103184266

IUPACN-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
SMILESCOCCCOCCSc1nnnn1CCNC1CC1
InChIInChI=1S/C12H23N5O2S/c1-18-7-2-8-19-9-10-20-12-14-15-16-17(12)6-5-13-11-3-4-11/h11,13H,2-10H2,1H3
InChIKeyOVDCSJBHELXSFC-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.57
Rot. Bonds12

About N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine

N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine (PubChem CID 103184266) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
PubChem CID103184266
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC NameN-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
SMILESCOCCCOCCSc1nnnn1CCNC1CC1
InChIInChI=1S/C12H23N5O2S/c1-18-7-2-8-19-9-10-20-12-14-15-16-17(12)6-5-13-11-3-4-11/h11,13H,2-10H2,1H3
InChIKeyOVDCSJBHELXSFC-UHFFFAOYSA-N
XLogP0.57
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethoxyethyl)-5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazole
CID 103184249
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine
CID 61385651
N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 103140436
N-[2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 104811481
N-[2-[5-[(3-bromo-5-fluorophenyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 79697402
N-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine
CID 106458184
N-[2-[5-[(4-chloro-2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 114859690
N-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine
CID 103178542
[5-[2-(3-methoxypropoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 103180182
N-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine
CID 113382999
N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)tetrazol-1-yl]ethyl]cyclopropanamine
CID 115334602
methyl 2-[5-(2-propoxyethylsulfanyl)tetrazol-1-yl]acetate
CID 106449589

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine (CID 103184266) is N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine is COCCCOCCSc1nnnn1CCNC1CC1.
What is the InChIKey of N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine?
The InChIKey is OVDCSJBHELXSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-18-7-2-8-19-9-10-20-12-14-15-16-17(12)6-5-13-11-3-4-11/h11,13H,2-10H2,1H3.
What are the key properties of N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine?
N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine has a molecular weight of 301.42 g/mol, XLogP of 0.57, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 103184266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).