N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine

C12H21N5OS — CID 103140436

IUPACN-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
SMILESCC1CCC(CSc2nnnn2CCNC2CC2)O1
InChIInChI=1S/C12H21N5OS/c1-9-2-5-11(18-9)8-19-12-14-15-16-17(12)7-6-13-10-3-4-10/h9-11,13H,2-8H2,1H3
InChIKeyYEUIWMDKGMQRRM-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.08
Rot. Bonds7

About N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine

N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine (PubChem CID 103140436) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
PubChem CID103140436
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC NameN-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
SMILESCC1CCC(CSc2nnnn2CCNC2CC2)O1
InChIInChI=1S/C12H21N5OS/c1-9-2-5-11(18-9)8-19-12-14-15-16-17(12)7-6-13-10-3-4-10/h9-11,13H,2-8H2,1H3
InChIKeyYEUIWMDKGMQRRM-UHFFFAOYSA-N
XLogP1.08
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine
CID 103140437
N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 103184266
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
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine
CID 61385651
N-[2-[5-[(3-bromo-5-fluorophenyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 79697402
N-[2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 104811481
N-[2-[5-[(4-chloro-2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 114859690
N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)tetrazol-1-yl]ethyl]cyclopropanamine
CID 115334602
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
2-[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)tetrazol-1-yl]ethanol
CID 66365603

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine (CID 103140436) is N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine is CC1CCC(CSc2nnnn2CCNC2CC2)O1.
What is the InChIKey of N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine?
The InChIKey is YEUIWMDKGMQRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-9-2-5-11(18-9)8-19-12-14-15-16-17(12)7-6-13-10-3-4-10/h9-11,13H,2-8H2,1H3.
What are the key properties of N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine?
N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine has a molecular weight of 283.40 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 103140436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).