N-[2-bicyclo[2.2.1]heptanyl(thiolan-2-yl)methyl]propan-1-amine

C15H27NS — CID 114245961

IUPACN-[2-bicyclo[2.2.1]heptanyl(thiolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCS1)C1CC2CCC1C2
InChIInChI=1S/C15H27NS/c1-2-7-16-15(14-4-3-8-17-14)13-10-11-5-6-12(13)9-11/h11-16H,2-10H2,1H3
InChIKeyUSWCEZQGZNYTRS-UHFFFAOYSA-N
MW253.45 g/mol
LogP3.69
Rot. Bonds5

About N-[2-bicyclo[2.2.1]heptanyl(thiolan-2-yl)methyl]propan-1-amine

N-[2-bicyclo[2.2.1]heptanyl(thiolan-2-yl)methyl]propan-1-amine (PubChem CID 114245961) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is N-[2-bicyclo[2.2.1]heptanyl(thiolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-bicyclo[2.2.1]heptanyl(thiolan-2-yl)methyl]propan-1-amine
PubChem CID114245961
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC NameN-[2-bicyclo[2.2.1]heptanyl(thiolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCS1)C1CC2CCC1C2
InChIInChI=1S/C15H27NS/c1-2-7-16-15(14-4-3-8-17-14)13-10-11-5-6-12(13)9-11/h11-16H,2-10H2,1H3
InChIKeyUSWCEZQGZNYTRS-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine
CID 113383565
1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114245869
N-[2-bicyclo[2.2.1]heptanyl-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 63504191
N-[(3-methylsulfonylcyclohexyl)-(thian-2-yl)methyl]propan-1-amine
CID 80627783
N-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine
CID 80627873
3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine
CID 80627756
N-[1,9-dioxaspiro[5.5]undecan-4-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80621542
4,4,4-trifluoro-N-propyl-1-(thian-2-yl)butan-1-amine
CID 80626408
3-methylidene-N-propyl-1-(thiolan-2-yl)pentan-1-amine
CID 80626543
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine
CID 60668799
N-[6-oxa-2-thiaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80626644
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766

Frequently Asked Questions

What is the IUPAC name of N-[2-bicyclo[2.2.1]heptanyl(thiolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[2-bicyclo[2.2.1]heptanyl(thiolan-2-yl)methyl]propan-1-amine (CID 114245961) is N-[2-bicyclo[2.2.1]heptanyl(thiolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2-bicyclo[2.2.1]heptanyl(thiolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2-bicyclo[2.2.1]heptanyl(thiolan-2-yl)methyl]propan-1-amine is CCCNC(C1CCCS1)C1CC2CCC1C2.
What is the InChIKey of N-[2-bicyclo[2.2.1]heptanyl(thiolan-2-yl)methyl]propan-1-amine?
The InChIKey is USWCEZQGZNYTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-2-7-16-15(14-4-3-8-17-14)13-10-11-5-6-12(13)9-11/h11-16H,2-10H2,1H3.
What are the key properties of N-[2-bicyclo[2.2.1]heptanyl(thiolan-2-yl)methyl]propan-1-amine?
N-[2-bicyclo[2.2.1]heptanyl(thiolan-2-yl)methyl]propan-1-amine has a molecular weight of 253.45 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bicyclo[2.2.1]heptanyl(thiolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114245961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).