N-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]cyclopropanamine

C10H17N5O2S — CID 55109297

IUPACN-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESO=S1(=O)CCC(n2nnnc2CNC2CC2)CC1
InChIInChI=1S/C10H17N5O2S/c16-18(17)5-3-9(4-6-18)15-10(12-13-14-15)7-11-8-1-2-8/h8-9,11H,1-7H2
InChIKeyNYCUSRJCUOBPBQ-UHFFFAOYSA-N
MW271.35 g/mol
LogP-0.33
Rot. Bonds4

About N-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]cyclopropanamine

N-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 55109297) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID55109297
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC NameN-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESO=S1(=O)CCC(n2nnnc2CNC2CC2)CC1
InChIInChI=1S/C10H17N5O2S/c16-18(17)5-3-9(4-6-18)15-10(12-13-14-15)7-11-8-1-2-8/h8-9,11H,1-7H2
InChIKeyNYCUSRJCUOBPBQ-UHFFFAOYSA-N
XLogP-0.33
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]cyclopropanamine (CID 55109297) is N-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]cyclopropanamine is O=S1(=O)CCC(n2nnnc2CNC2CC2)CC1.
What is the InChIKey of N-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is NYCUSRJCUOBPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c16-18(17)5-3-9(4-6-18)15-10(12-13-14-15)7-11-8-1-2-8/h8-9,11H,1-7H2.
What are the key properties of N-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 271.35 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55109297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).